4-(2-aminobutyl)benzene-1,3-diol

C10H15NO2 — CID 43565996

IUPAC4-(2-aminobutyl)benzene-1,3-diol
SMILESCCC(N)Cc1ccc(O)cc1O
InChIInChI=1S/C10H15NO2/c1-2-8(11)5-7-3-4-9(12)6-10(7)13/h3-4,6,8,12-13H,2,5,11H2,1H3
InChIKeyHDUGLSQPAAPYIR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.38
Rot. Bonds3

About 4-(2-aminobutyl)benzene-1,3-diol

4-(2-aminobutyl)benzene-1,3-diol (PubChem CID 43565996) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(2-aminobutyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-aminobutyl)benzene-1,3-diol
PubChem CID43565996
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(2-aminobutyl)benzene-1,3-diol
SMILESCCC(N)Cc1ccc(O)cc1O
InChIInChI=1S/C10H15NO2/c1-2-8(11)5-7-3-4-9(12)6-10(7)13/h3-4,6,8,12-13H,2,5,11H2,1H3
InChIKeyHDUGLSQPAAPYIR-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminobutyl)benzene-1,3-diol 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

2-(2-aminobutyl)-5-phenylmethoxyphenol
CID 170889335
CID 172851102
CID 172851102
4-ethylbenzene-1,3-diol
CID 17927
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352
sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate
CID 170902484
4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol
CID 143290771
4-[(1S)-1-aminopropyl]benzene-1,3-diol
CID 55255477
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
2,6-bis(2-aminobutyl)-4-chlorophenol
CID 170888954
4-[(1S)-1-aminopropyl]benzene-1,3-diol;hydrochloride
CID 171219642
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
3-amino-4-ethylphenol;hydrochloride
CID 178200309

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)benzene-1,3-diol?
The IUPAC name of 4-(2-aminobutyl)benzene-1,3-diol (CID 43565996) is 4-(2-aminobutyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-aminobutyl)benzene-1,3-diol?
The canonical SMILES for 4-(2-aminobutyl)benzene-1,3-diol is CCC(N)Cc1ccc(O)cc1O.
What is the InChIKey of 4-(2-aminobutyl)benzene-1,3-diol?
The InChIKey is HDUGLSQPAAPYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-8(11)5-7-3-4-9(12)6-10(7)13/h3-4,6,8,12-13H,2,5,11H2,1H3.
What are the key properties of 4-(2-aminobutyl)benzene-1,3-diol?
4-(2-aminobutyl)benzene-1,3-diol has a molecular weight of 181.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)benzene-1,3-diol is sourced from PubChem (CID 43565996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).