(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride

C13H22ClNO2 — CID 171219764

IUPAC(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cc(OC)ccc1OC.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3;/h7-9,12H,4-6,14H2,1-3H3;1H/t12-;/m0./s1
InChIKeyXKOIMWLHTVXYES-YDALLXLXSA-N
MW259.78 g/mol
LogP3.32
Rot. Bonds6

About (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride

(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171219764) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171219764
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1cc(OC)ccc1OC.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3;/h7-9,12H,4-6,14H2,1-3H3;1H/t12-;/m0./s1
InChIKeyXKOIMWLHTVXYES-YDALLXLXSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 64674550
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride (CID 171219764) is (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1cc(OC)ccc1OC.Cl.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is XKOIMWLHTVXYES-YDALLXLXSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-4-5-6-12(14)11-9-10(15-2)7-8-13(11)16-3;/h7-9,12H,4-6,14H2,1-3H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride?
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171219764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).