2-amino-6-anilinophenol

C12H12N2O — CID 23106882

IUPAC2-amino-6-anilinophenol
SMILESNc1cccc(Nc2ccccc2)c1O
InChIInChI=1S/C12H12N2O/c13-10-7-4-8-11(12(10)15)14-9-5-2-1-3-6-9/h1-8,14-15H,13H2
InChIKeyZQOJONUUZFOEQI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.72
Rot. Bonds2

About 2-amino-6-anilinophenol

2-amino-6-anilinophenol (PubChem CID 23106882) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-6-anilinophenol.

Molecular Properties

Compound Name2-amino-6-anilinophenol
PubChem CID23106882
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-amino-6-anilinophenol
SMILESNc1cccc(Nc2ccccc2)c1O
InChIInChI=1S/C12H12N2O/c13-10-7-4-8-11(12(10)15)14-9-5-2-1-3-6-9/h1-8,14-15H,13H2
InChIKeyZQOJONUUZFOEQI-UHFFFAOYSA-N
XLogP2.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.72
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

2-amino-6-anilinobenzoic acid
CID 67684436
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
2-anilino-6-hydroxybenzoic acid
CID 154369183
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
phenol;N-phenylnaphthalen-1-amine
CID 159146578
N-[[4-(2-aminoanilino)phenyl]-phenylmethylidene]hydroxylamine
CID 86204337
3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline
CID 144892818
hydrazine;N-phenylaniline
CID 159755629
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828
4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
3-N-(3-amino-2-phenoxyphenyl)-2-phenoxybenzene-1,3-diamine
CID 139931817

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-anilinophenol?
The IUPAC name of 2-amino-6-anilinophenol (CID 23106882) is 2-amino-6-anilinophenol.
What is the SMILES notation for 2-amino-6-anilinophenol?
The canonical SMILES for 2-amino-6-anilinophenol is Nc1cccc(Nc2ccccc2)c1O.
What is the InChIKey of 2-amino-6-anilinophenol?
The InChIKey is ZQOJONUUZFOEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-10-7-4-8-11(12(10)15)14-9-5-2-1-3-6-9/h1-8,14-15H,13H2.
What are the key properties of 2-amino-6-anilinophenol?
2-amino-6-anilinophenol has a molecular weight of 200.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-anilinophenol is sourced from PubChem (CID 23106882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).