2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride

C13H13Cl2NO — CID 45259831

IUPAC2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride
SMILESCl.NCc1cc(-c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C13H12ClNO.ClH/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9;/h1-7,16H,8,15H2;1H
InChIKeyBUTXTLXVJKEOOB-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.59
Rot. Bonds2

About 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride

2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride (PubChem CID 45259831) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride
PubChem CID45259831
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride
SMILESCl.NCc1cc(-c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C13H12ClNO.ClH/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9;/h1-7,16H,8,15H2;1H
InChIKeyBUTXTLXVJKEOOB-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-[(cyclohexylamino)methyl]-4-phenylphenol;hydrochloride
CID 44530967
2-(Aminomethyl)-6-chloro-4-propan-2-ylphenol;hydrochloride
CID 45259776
4-(2-Aminoethyl)-2-chlorophenol
CID 23071555
2-(Aminomethyl)-4-(tert-butyl)-6-chlorophenol hydrochloride
CID 12652143
2-(Aminomethyl)-4,6-dichlorophenol
CID 12652211
2-(Aminomethyl)-3,6-dichloro-4-methylphenol;hydrochloride
CID 45259747
2-(Aminomethyl)-6-chloro-3,4-dimethylphenol;hydrochloride
CID 45259807
2-(Aminomethyl)-6-chloro-4-fluorophenol;hydrochloride
CID 45259817
2-(Aminomethyl)-6-chloro-4-(2-methylpropyl)phenol;hydrochloride
CID 45264055
2-(Aminomethyl)-4-chloro-6-methylphenol hydrochloride
CID 45264194
4-(Aminomethyl)-2-chlorophenol hydrobromide
CID 67045534
3-Chloro-4-(4-hydroxyphenyl)salicylaldoxime
CID 91066436

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride (CID 45259831) is 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride is Cl.NCc1cc(-c2ccccc2)cc(Cl)c1O.
What is the InChIKey of 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride?
The InChIKey is BUTXTLXVJKEOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO.ClH/c14-12-7-10(6-11(8-15)13(12)16)9-4-2-1-3-5-9;/h1-7,16H,8,15H2;1H.
What are the key properties of 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride?
2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chloro-4-phenylphenol;hydrochloride is sourced from PubChem (CID 45259831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).