4-amino-2-[2-(aminomethyl)phenyl]phenol

C13H14N2O — CID 22706655

IUPAC4-amino-2-[2-(aminomethyl)phenyl]phenol
SMILESNCc1ccccc1-c1cc(N)ccc1O
InChIInChI=1S/C13H14N2O/c14-8-9-3-1-2-4-11(9)12-7-10(15)5-6-13(12)16/h1-7,16H,8,14-15H2
InChIKeyRMHQKTAMFXQMQJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds2

About 4-amino-2-[2-(aminomethyl)phenyl]phenol

4-amino-2-[2-(aminomethyl)phenyl]phenol (PubChem CID 22706655) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-amino-2-[2-(aminomethyl)phenyl]phenol.

Molecular Properties

Compound Name4-amino-2-[2-(aminomethyl)phenyl]phenol
PubChem CID22706655
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-amino-2-[2-(aminomethyl)phenyl]phenol
SMILESNCc1ccccc1-c1cc(N)ccc1O
InChIInChI=1S/C13H14N2O/c14-8-9-3-1-2-4-11(9)12-7-10(15)5-6-13(12)16/h1-7,16H,8,14-15H2
InChIKeyRMHQKTAMFXQMQJ-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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(aminomethyl)phenyl]phenol?
The IUPAC name of 4-amino-2-[2-(aminomethyl)phenyl]phenol (CID 22706655) is 4-amino-2-[2-(aminomethyl)phenyl]phenol.
What is the SMILES notation for 4-amino-2-[2-(aminomethyl)phenyl]phenol?
The canonical SMILES for 4-amino-2-[2-(aminomethyl)phenyl]phenol is NCc1ccccc1-c1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-[2-(aminomethyl)phenyl]phenol?
The InChIKey is RMHQKTAMFXQMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-9-3-1-2-4-11(9)12-7-10(15)5-6-13(12)16/h1-7,16H,8,14-15H2.
What are the key properties of 4-amino-2-[2-(aminomethyl)phenyl]phenol?
4-amino-2-[2-(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 4-amino-2-[2-(aminomethyl)phenyl]phenol is sourced from PubChem (CID 22706655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).