4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride

C13H15ClN2O — CID 23514550

IUPAC4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
SMILESCl.NCc1cccc(-c2cc(N)ccc2O)c1
InChIInChI=1S/C13H14N2O.ClH/c14-8-9-2-1-3-10(6-9)12-7-11(15)4-5-13(12)16;/h1-7,16H,8,14-15H2;1H
InChIKeyMDJAMQYWWCEVAA-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.52
Rot. Bonds2

About 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride

4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride (PubChem CID 23514550) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
PubChem CID23514550
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
SMILESCl.NCc1cccc(-c2cc(N)ccc2O)c1
InChIInChI=1S/C13H14N2O.ClH/c14-8-9-2-1-3-10(6-9)12-7-11(15)4-5-13(12)16;/h1-7,16H,8,14-15H2;1H
InChIKeyMDJAMQYWWCEVAA-UHFFFAOYSA-N
XLogP2.52
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.52
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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Related Compounds

2-Amino-4-phenylphenol
CID 14562
1-Amino-4-naphthol
CID 17815
Vitamin K5
CID 6754
5-Amino-2-hydroxytoluene
CID 76081
4-Amino-1-naphthol hydrochloride
CID 2723858
4-Amino-4'-hydroxybiphenyl
CID 14565
4-(Phenylazo)-o-cresol
CID 101340
1-Naphthalenol, 5-amino-, hydrochloride (1:1)
CID 113052
4-Hydroxyxylidine
CID 76542
2-Aminomethyl-p-aminophenol dihydrochloride
CID 5463812
Phenol, 4-amino-5-methyl-2-(1-methylethyl)-, hydrochloride (1:1)
CID 80603
2-Biphenylol, 4'-amino-
CID 146708

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride?
The IUPAC name of 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride (CID 23514550) is 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride.
What is the SMILES notation for 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride?
The canonical SMILES for 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride is Cl.NCc1cccc(-c2cc(N)ccc2O)c1.
What is the InChIKey of 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride?
The InChIKey is MDJAMQYWWCEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.ClH/c14-8-9-2-1-3-10(6-9)12-7-11(15)4-5-13(12)16;/h1-7,16H,8,14-15H2;1H.
What are the key properties of 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride?
4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride is sourced from PubChem (CID 23514550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).