5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride

C11H18ClNO2 — CID 162344324

IUPAC5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
SMILESCCC[C@H](N)c1ccc(OC)c(O)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-4-9(12)8-5-6-11(14-2)10(13)7-8;/h5-7,9,13H,3-4,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyGJPIHAUZLPGEDH-FVGYRXGTSA-N
MW231.72 g/mol
LogP2.62
Rot. Bonds4

About 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride

5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride (PubChem CID 162344324) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
PubChem CID162344324
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
SMILESCCC[C@H](N)c1ccc(OC)c(O)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-4-9(12)8-5-6-11(14-2)10(13)7-8;/h5-7,9,13H,3-4,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyGJPIHAUZLPGEDH-FVGYRXGTSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1S)-1-aminobutyl]-2-methoxyphenol;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

5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
[4-[(1R)-1-aminobutyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214090
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
(3S)-3-amino-3-(3-hydroxy-4-methoxyphenyl)propanenitrile;hydrochloride
CID 171259831
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride (CID 162344324) is 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride is CCC[C@H](N)c1ccc(OC)c(O)c1.Cl.
What is the InChIKey of 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride?
The InChIKey is GJPIHAUZLPGEDH-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-3-4-9(12)8-5-6-11(14-2)10(13)7-8;/h5-7,9,13H,3-4,12H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride?
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 162344324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).