4-amino-2-(3-aminobutyl)phenol

C10H16N2O — CID 84657538

IUPAC4-amino-2-(3-aminobutyl)phenol
SMILESCC(N)CCc1cc(N)ccc1O
InChIInChI=1S/C10H16N2O/c1-7(11)2-3-8-6-9(12)4-5-10(8)13/h4-7,13H,2-3,11-12H2,1H3
InChIKeySWWGDMIKAQHKOE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.25
Rot. Bonds3

About 4-amino-2-(3-aminobutyl)phenol

4-amino-2-(3-aminobutyl)phenol (PubChem CID 84657538) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-amino-2-(3-aminobutyl)phenol.

Molecular Properties

Compound Name4-amino-2-(3-aminobutyl)phenol
PubChem CID84657538
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-amino-2-(3-aminobutyl)phenol
SMILESCC(N)CCc1cc(N)ccc1O
InChIInChI=1S/C10H16N2O/c1-7(11)2-3-8-6-9(12)4-5-10(8)13/h4-7,13H,2-3,11-12H2,1H3
InChIKeySWWGDMIKAQHKOE-UHFFFAOYSA-N
XLogP1.25
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-2-(3-aminobutyl)phenol 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

4-(3-aminobutyl)-3-methylaniline
CID 130001530
4-amino-2-(2-methylpropyl)phenol
CID 56609860
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950
2-(3-aminobutyl)-5-bromophenol
CID 130001244
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
bis(4-amino-2-(aminomethyl)phenol);dihydrochloride
CID 91620372
4-amino-2-(aminomethyl)phenol;dihydrochloride
CID 5463812
3-(3-aminobutyl)-4-methylphenol
CID 130001431
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminobutyl)phenol?
The IUPAC name of 4-amino-2-(3-aminobutyl)phenol (CID 84657538) is 4-amino-2-(3-aminobutyl)phenol.
What is the SMILES notation for 4-amino-2-(3-aminobutyl)phenol?
The canonical SMILES for 4-amino-2-(3-aminobutyl)phenol is CC(N)CCc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(3-aminobutyl)phenol?
The InChIKey is SWWGDMIKAQHKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(11)2-3-8-6-9(12)4-5-10(8)13/h4-7,13H,2-3,11-12H2,1H3.
What are the key properties of 4-amino-2-(3-aminobutyl)phenol?
4-amino-2-(3-aminobutyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminobutyl)phenol is sourced from PubChem (CID 84657538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).