3-[4-amino-3-(aminomethyl)phenyl]phenol

C13H14N2O — CID 82508818

IUPAC3-[4-amino-3-(aminomethyl)phenyl]phenol
SMILESNCc1cc(-c2cccc(O)c2)ccc1N
InChIInChI=1S/C13H14N2O/c14-8-11-6-10(4-5-13(11)15)9-2-1-3-12(16)7-9/h1-7,16H,8,14-15H2
InChIKeyRJSQAIBSSBLIAL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds2

About 3-[4-amino-3-(aminomethyl)phenyl]phenol

3-[4-amino-3-(aminomethyl)phenyl]phenol (PubChem CID 82508818) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[4-amino-3-(aminomethyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-amino-3-(aminomethyl)phenyl]phenol
PubChem CID82508818
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[4-amino-3-(aminomethyl)phenyl]phenol
SMILESNCc1cc(-c2cccc(O)c2)ccc1N
InChIInChI=1S/C13H14N2O/c14-8-11-6-10(4-5-13(11)15)9-2-1-3-12(16)7-9/h1-7,16H,8,14-15H2
InChIKeyRJSQAIBSSBLIAL-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(aminomethyl)phenyl]phenol?
The IUPAC name of 3-[4-amino-3-(aminomethyl)phenyl]phenol (CID 82508818) is 3-[4-amino-3-(aminomethyl)phenyl]phenol.
What is the SMILES notation for 3-[4-amino-3-(aminomethyl)phenyl]phenol?
The canonical SMILES for 3-[4-amino-3-(aminomethyl)phenyl]phenol is NCc1cc(-c2cccc(O)c2)ccc1N.
What is the InChIKey of 3-[4-amino-3-(aminomethyl)phenyl]phenol?
The InChIKey is RJSQAIBSSBLIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-11-6-10(4-5-13(11)15)9-2-1-3-12(16)7-9/h1-7,16H,8,14-15H2.
What are the key properties of 3-[4-amino-3-(aminomethyl)phenyl]phenol?
3-[4-amino-3-(aminomethyl)phenyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(aminomethyl)phenyl]phenol is sourced from PubChem (CID 82508818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).