N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine

C16H22N2OS — CID 115952839

IUPACN-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(C)c1OCc1nc(C)cs1
InChIInChI=1S/C16H22N2OS/c1-4-8-17-9-14-7-5-6-12(2)16(14)19-10-15-18-13(3)11-20-15/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyZHRAPEKEWIZQRJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.84
Rot. Bonds7

About N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 115952839) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID115952839
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(C)c1OCc1nc(C)cs1
InChIInChI=1S/C16H22N2OS/c1-4-8-17-9-14-7-5-6-12(2)16(14)19-10-15-18-13(3)11-20-15/h5-7,11,17H,4,8-10H2,1-3H3
InChIKeyZHRAPEKEWIZQRJ-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112609224
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]propan-1-amine
CID 115952833
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
N-[[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115961178
N-[[3-methyl-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 115952763
N-[[3-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115955093
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115953214
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]-3-methylphenyl]methanol
CID 115956158
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 112609166

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 115952839) is N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(C)c1OCc1nc(C)cs1.
What is the InChIKey of N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is ZHRAPEKEWIZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-8-17-9-14-7-5-6-12(2)16(14)19-10-15-18-13(3)11-20-15/h5-7,11,17H,4,8-10H2,1-3H3.
What are the key properties of N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115952839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).