1-[4-(2-aminobutylamino)phenyl]ethanol

C12H20N2O — CID 83962947

IUPAC1-[4-(2-aminobutylamino)phenyl]ethanol
SMILESCCC(N)CNc1ccc(C(C)O)cc1
InChIInChI=1S/C12H20N2O/c1-3-11(13)8-14-12-6-4-10(5-7-12)9(2)15/h4-7,9,11,14-15H,3,8,13H2,1-2H3
InChIKeyJBCOKEYZHBPWGB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(2-aminobutylamino)phenyl]ethanol

1-[4-(2-aminobutylamino)phenyl]ethanol (PubChem CID 83962947) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[4-(2-aminobutylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-aminobutylamino)phenyl]ethanol
PubChem CID83962947
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[4-(2-aminobutylamino)phenyl]ethanol
SMILESCCC(N)CNc1ccc(C(C)O)cc1
InChIInChI=1S/C12H20N2O/c1-3-11(13)8-14-12-6-4-10(5-7-12)9(2)15/h4-7,9,11,14-15H,3,8,13H2,1-2H3
InChIKeyJBCOKEYZHBPWGB-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-aminobutylamino)phenyl]ethanol 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-N-(4-ethylphenyl)butane-1,2-diamine
CID 83961853
1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
CID 83946331
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
2-amino-3-(4-propan-2-ylanilino)propanoic acid
CID 103233337
1-N-(3-chlorophenyl)butane-1,2-diamine
CID 83944476
1-[3-(2-aminopropylamino)phenyl]ethanol
CID 83962997
1-(4-propylanilino)propan-2-ol
CID 60884974
methyl 2-[(4-butan-2-ylanilino)methyl]butanoate
CID 115252982
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]propanoate
CID 168594899

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminobutylamino)phenyl]ethanol?
The IUPAC name of 1-[4-(2-aminobutylamino)phenyl]ethanol (CID 83962947) is 1-[4-(2-aminobutylamino)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-aminobutylamino)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-aminobutylamino)phenyl]ethanol is CCC(N)CNc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(2-aminobutylamino)phenyl]ethanol?
The InChIKey is JBCOKEYZHBPWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11(13)8-14-12-6-4-10(5-7-12)9(2)15/h4-7,9,11,14-15H,3,8,13H2,1-2H3.
What are the key properties of 1-[4-(2-aminobutylamino)phenyl]ethanol?
1-[4-(2-aminobutylamino)phenyl]ethanol has a molecular weight of 208.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminobutylamino)phenyl]ethanol is sourced from PubChem (CID 83962947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).