(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

C20H24N4O — CID 97230370

IUPAC(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCOc1ccccc1C[C@H](C)NCc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C20H24N4O/c1-15(12-18-6-4-5-7-19(18)25-3)22-13-17-8-9-20(23-14-17)24-11-10-21-16(24)2/h4-11,14-15,22H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyRRFWHUDXPFSKAA-HNNXBMFYSA-N
MW336.44 g/mol
LogP3.31
Rot. Bonds7

About (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine

(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 97230370) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID97230370
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCOc1ccccc1C[C@H](C)NCc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C20H24N4O/c1-15(12-18-6-4-5-7-19(18)25-3)22-13-17-8-9-20(23-14-17)24-11-10-21-16(24)2/h4-11,14-15,22H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyRRFWHUDXPFSKAA-HNNXBMFYSA-N
XLogP3.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]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

N-[(2-methoxyphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 51086203
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111282237
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111282236
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 97230377
1-(4-fluorophenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]methanamine
CID 51086195
1-(2-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-2-amine
CID 115708547
1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 61285032
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111576829
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 119848280

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 97230370) is (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is COc1ccccc1C[C@H](C)NCc1ccc(-n2ccnc2C)nc1.
What is the InChIKey of (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is RRFWHUDXPFSKAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15(12-18-6-4-5-7-19(18)25-3)22-13-17-8-9-20(23-14-17)24-11-10-21-16(24)2/h4-11,14-15,22H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine?
(2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 97230370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).