3-amino-2-(benzylamino)phenol

C13H14N2O — CID 162373513

IUPAC3-amino-2-(benzylamino)phenol
SMILESNc1cccc(O)c1NCc1ccccc1
InChIInChI=1S/C13H14N2O/c14-11-7-4-8-12(16)13(11)15-9-10-5-2-1-3-6-10/h1-8,15-16H,9,14H2
InChIKeyZHVNGCWLPKVQPB-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.59
Rot. Bonds3

About 3-amino-2-(benzylamino)phenol

3-amino-2-(benzylamino)phenol (PubChem CID 162373513) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-amino-2-(benzylamino)phenol.

Molecular Properties

Compound Name3-amino-2-(benzylamino)phenol
PubChem CID162373513
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-amino-2-(benzylamino)phenol
SMILESNc1cccc(O)c1NCc1ccccc1
InChIInChI=1S/C13H14N2O/c14-11-7-4-8-12(16)13(11)15-9-10-5-2-1-3-6-10/h1-8,15-16H,9,14H2
InChIKeyZHVNGCWLPKVQPB-UHFFFAOYSA-N
XLogP2.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.59
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'}

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Related Compounds

3-amino-2-(hydroxymethylamino)phenol
CID 69492544
methyl 3-amino-2-(benzylamino)benzoate
CID 112577696
4-(benzylamino)benzene-1,3-diol
CID 21321415
4-N-benzyl-2,1,3-benzoselenadiazole-4,5-diamine
CID 139215941
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
4-(benzylamino)phenol;hydrochloride
CID 16738613
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725
4-[(2-amino-6-chloroanilino)methyl]benzonitrile
CID 62267898
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
2-N-benzyl-4,5-difluorobenzene-1,2-diamine
CID 130536602
N-benzyl-1-phenylmethanamine;2,3-dimethylaniline
CID 70576853

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(benzylamino)phenol?
The IUPAC name of 3-amino-2-(benzylamino)phenol (CID 162373513) is 3-amino-2-(benzylamino)phenol.
What is the SMILES notation for 3-amino-2-(benzylamino)phenol?
The canonical SMILES for 3-amino-2-(benzylamino)phenol is Nc1cccc(O)c1NCc1ccccc1.
What is the InChIKey of 3-amino-2-(benzylamino)phenol?
The InChIKey is ZHVNGCWLPKVQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-7-4-8-12(16)13(11)15-9-10-5-2-1-3-6-10/h1-8,15-16H,9,14H2.
What are the key properties of 3-amino-2-(benzylamino)phenol?
3-amino-2-(benzylamino)phenol has a molecular weight of 214.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(benzylamino)phenol is sourced from PubChem (CID 162373513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).