N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine

C106H168N24O2S — CID 159274739

IUPACN-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCCN1CCOCC1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)NCc1cccnc1.CC(C)NCc1ccncc1.CC(C)NCc1cnccn1.CC(C)NCc1nccs1.CC(C)Nc1ccccc1.CC(C)Nc1cncnc1.CC(C)Nc1ncccn1.COc1ccc(CNC(C)C)cc1.[C-]#[N+]c1cccc(CNC(C)C)c1
InChIInChI=1S/C11H14N2.C11H17NO.C10H15N.C9H20N2O.3C9H14N2.C9H13N.C8H13N3.2C7H11N3.C7H12N2S/c1-9(2)13-8-10-5-4-6-11(7-10)12-3;1-9(2)12-8-10-4-6-11(13-3)7-5-10;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-3-4-11-5-7-12-8-6-11;1-8(2)11-7-9-3-5-10-6-4-9;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)11-6-8-5-9-3-4-10-8;1-6(2)10-7-3-8-5-9-4-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)9-5-7-8-3-4-10-7/h4-7,9,13H,8H2,1-2H3;4-7,9,12H,8H2,1-3H3;3-7,9,11H,8H2,1-2H3;9-10H,3-8H2,1-2H3;3*3-6,8,11H,7H2,1-2H3;3-8,10H,1-2H3;3-5,7,11H,6H2,1-2H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,8,9,10);3-4,6,9H,5H2,1-2H3
InChIKeyKYDURNHFGMWFKD-UHFFFAOYSA-N
MW1842.74 g/mol
LogP19.88
Rot. Bonds35

About N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine

N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine (PubChem CID 159274739) has the molecular formula C106H168N24O2S and a molecular weight of 1842.74 g/mol. Its IUPAC name is N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
PubChem CID159274739
Molecular FormulaC106H168N24O2S
Molecular Weight1842.74 g/mol
Exact Mass1841.35
IUPAC NameN-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCCN1CCOCC1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)NCc1cccnc1.CC(C)NCc1ccncc1.CC(C)NCc1cnccn1.CC(C)NCc1nccs1.CC(C)Nc1ccccc1.CC(C)Nc1cncnc1.CC(C)Nc1ncccn1.COc1ccc(CNC(C)C)cc1.[C-]#[N+]c1cccc(CNC(C)C)c1
InChIInChI=1S/C11H14N2.C11H17NO.C10H15N.C9H20N2O.3C9H14N2.C9H13N.C8H13N3.2C7H11N3.C7H12N2S/c1-9(2)13-8-10-5-4-6-11(7-10)12-3;1-9(2)12-8-10-4-6-11(13-3)7-5-10;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-3-4-11-5-7-12-8-6-11;1-8(2)11-7-9-3-5-10-6-4-9;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)11-6-8-5-9-3-4-10-8;1-6(2)10-7-3-8-5-9-4-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)9-5-7-8-3-4-10-7/h4-7,9,13H,8H2,1-2H3;4-7,9,12H,8H2,1-3H3;3-7,9,11H,8H2,1-2H3;9-10H,3-8H2,1-2H3;3*3-6,8,11H,7H2,1-2H3;3-8,10H,1-2H3;3-5,7,11H,6H2,1-2H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,8,9,10);3-4,6,9H,5H2,1-2H3
InChIKeyKYDURNHFGMWFKD-UHFFFAOYSA-N
XLogP19.88
TPSA299.32 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001842.74
LogP ≤ 519.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluorophenyl)-3-[3-[5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]urea
CID 67005812
2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)pyrimidin-4-amine
CID 122632202
4-[4-[3-[[3-(difluoromethoxy)phenyl]sulfanylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 144052824
1-[2-[4-[2-(3-Morpholin-4-ylpropyl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 161879828
N-(2-methoxyphenyl)-4-[6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 49822127
N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-[6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 49822204
4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575772
N-(3-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-5-(1-(piperazin-1-yl)ethyl)pyridin-2-yl)benzo[d]thiazol-5-amine
CID 66610823
4-[6-[3-(benzylamino)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-2-amine
CID 67005677
4-[6-[3-[(3-methoxyphenyl)methylamino]phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 67005683
1-(3-Methoxyphenyl)-3-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]urea
CID 67005775
1-(2-Methylphenyl)-3-[3-[5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]urea
CID 67005969

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The IUPAC name of N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine (CID 159274739) is N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine is CC(C)NCCN1CCOCC1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)NCc1cccnc1.CC(C)NCc1ccncc1.CC(C)NCc1cnccn1.CC(C)NCc1nccs1.CC(C)Nc1ccccc1.CC(C)Nc1cncnc1.CC(C)Nc1ncccn1.COc1ccc(CNC(C)C)cc1.[C-]#[N+]c1cccc(CNC(C)C)c1.
What is the InChIKey of N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is KYDURNHFGMWFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C11H17NO.C10H15N.C9H20N2O.3C9H14N2.C9H13N.C8H13N3.2C7H11N3.C7H12N2S/c1-9(2)13-8-10-5-4-6-11(7-10)12-3;1-9(2)12-8-10-4-6-11(13-3)7-5-10;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2)10-3-4-11-5-7-12-8-6-11;1-8(2)11-7-9-3-5-10-6-4-9;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)11-6-8-5-9-3-4-10-8;1-6(2)10-7-3-8-5-9-4-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)9-5-7-8-3-4-10-7/h4-7,9,13H,8H2,1-2H3;4-7,9,12H,8H2,1-3H3;3-7,9,11H,8H2,1-2H3;9-10H,3-8H2,1-2H3;3*3-6,8,11H,7H2,1-2H3;3-8,10H,1-2H3;3-5,7,11H,6H2,1-2H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,8,9,10);3-4,6,9H,5H2,1-2H3.
What are the key properties of N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 1842.74 g/mol, XLogP of 19.88, 35 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;N-[(3-isocyanophenyl)methyl]propan-2-amine;N-[(4-methoxyphenyl)methyl]propan-2-amine;N-(2-morpholin-4-ylethyl)propan-2-amine;N-propan-2-ylaniline;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine;N-(pyridin-4-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 159274739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).