(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride

C13H22ClNO — CID 171233420

IUPAC(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccc(OC)cc1C.Cl
InChIInChI=1S/C13H21NO.ClH/c1-4-5-6-13(14)12-8-7-11(15-3)9-10(12)2;/h7-9,13H,4-6,14H2,1-3H3;1H/t13-;/m0./s1
InChIKeyNPXRPYBTSFRVLM-ZOWNYOTGSA-N
MW243.78 g/mol
LogP3.62
Rot. Bonds5

About (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride

(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride (PubChem CID 171233420) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
PubChem CID171233420
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccc(OC)cc1C.Cl
InChIInChI=1S/C13H21NO.ClH/c1-4-5-6-13(14)12-8-7-11(15-3)9-10(12)2;/h7-9,13H,4-6,14H2,1-3H3;1H/t13-;/m0./s1
InChIKeyNPXRPYBTSFRVLM-ZOWNYOTGSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride 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-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride (CID 171233420) is (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1ccc(OC)cc1C.Cl.
What is the InChIKey of (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride?
The InChIKey is NPXRPYBTSFRVLM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-4-5-6-13(14)12-8-7-11(15-3)9-10(12)2;/h7-9,13H,4-6,14H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride?
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171233420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).