2-amino-5-[(3-aminophenyl)methyl]phenol

C13H14N2O — CID 23106868

IUPAC2-amino-5-[(3-aminophenyl)methyl]phenol
SMILESNc1cccc(Cc2ccc(N)c(O)c2)c1
InChIInChI=1S/C13H14N2O/c14-11-3-1-2-9(7-11)6-10-4-5-12(15)13(16)8-10/h1-5,7-8,16H,6,14-15H2
InChIKeyPQYVHYLZEOBCBC-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-5-[(3-aminophenyl)methyl]phenol

2-amino-5-[(3-aminophenyl)methyl]phenol (PubChem CID 23106868) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-amino-5-[(3-aminophenyl)methyl]phenol.

Molecular Properties

Compound Name2-amino-5-[(3-aminophenyl)methyl]phenol
PubChem CID23106868
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-amino-5-[(3-aminophenyl)methyl]phenol
SMILESNc1cccc(Cc2ccc(N)c(O)c2)c1
InChIInChI=1S/C13H14N2O/c14-11-3-1-2-9(7-11)6-10-4-5-12(15)13(16)8-10/h1-5,7-8,16H,6,14-15H2
InChIKeyPQYVHYLZEOBCBC-UHFFFAOYSA-N
XLogP2.15
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-[(3-aminophenyl)methyl]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

2-amino-4-[(3-aminophenyl)methyl]phenol
CID 23106855
4-[(3-aminophenyl)methyl]benzene-1,2-diamine;trihydrochloride
CID 18353599
3-[[4-(2-aminoethyl)phenyl]methyl]aniline
CID 142409783
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
2-[(4-amino-3-hydroxyphenyl)methyl]benzoic acid
CID 175137098
2,5-diaminophenol;2-methylbenzene-1,3-diamine
CID 161250673
3-(chloromethyl)aniline
CID 18329590
4-[(4-aminophenyl)methyl]benzene-1,2-diamine
CID 22022535
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
2-amino-5-(3-aminophenyl)sulfonylphenol
CID 23106831
(3-aminophenyl)methylboronic acid
CID 154013058

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-aminophenyl)methyl]phenol?
The IUPAC name of 2-amino-5-[(3-aminophenyl)methyl]phenol (CID 23106868) is 2-amino-5-[(3-aminophenyl)methyl]phenol.
What is the SMILES notation for 2-amino-5-[(3-aminophenyl)methyl]phenol?
The canonical SMILES for 2-amino-5-[(3-aminophenyl)methyl]phenol is Nc1cccc(Cc2ccc(N)c(O)c2)c1.
What is the InChIKey of 2-amino-5-[(3-aminophenyl)methyl]phenol?
The InChIKey is PQYVHYLZEOBCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-3-1-2-9(7-11)6-10-4-5-12(15)13(16)8-10/h1-5,7-8,16H,6,14-15H2.
What are the key properties of 2-amino-5-[(3-aminophenyl)methyl]phenol?
2-amino-5-[(3-aminophenyl)methyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-aminophenyl)methyl]phenol is sourced from PubChem (CID 23106868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).