(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine

C15H25NO3 — CID 171219160

IUPAC(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
SMILESCOc1cc([C@@H](N)CCC(C)C)cc(OC)c1OC
InChIInChI=1S/C15H25NO3/c1-10(2)6-7-12(16)11-8-13(17-3)15(19-5)14(9-11)18-4/h8-10,12H,6-7,16H2,1-5H3/t12-/m0/s1
InChIKeyFDKHFNHXJGXGHR-LBPRGKRZSA-N
MW267.37 g/mol
LogP3.15
Rot. Bonds7

About (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine

(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine (PubChem CID 171219160) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
PubChem CID171219160
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
SMILESCOc1cc([C@@H](N)CCC(C)C)cc(OC)c1OC
InChIInChI=1S/C15H25NO3/c1-10(2)6-7-12(16)11-8-13(17-3)15(19-5)14(9-11)18-4/h8-10,12H,6-7,16H2,1-5H3/t12-/m0/s1
InChIKeyFDKHFNHXJGXGHR-LBPRGKRZSA-N
XLogP3.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-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-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
4-[(1S)-1-amino-4-methylpentyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219344
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-1-(3,4,5-trimethoxyphenyl)pent-4-en-1-amine
CID 171219154
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 95452478

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine?
The IUPAC name of (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine (CID 171219160) is (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine.
What is the SMILES notation for (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine?
The canonical SMILES for (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine is COc1cc([C@@H](N)CCC(C)C)cc(OC)c1OC.
What is the InChIKey of (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine?
The InChIKey is FDKHFNHXJGXGHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(2)6-7-12(16)11-8-13(17-3)15(19-5)14(9-11)18-4/h8-10,12H,6-7,16H2,1-5H3/t12-/m0/s1.
What are the key properties of (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine?
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 171219160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).