[4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride

C14H14ClNO — CID 2760962

IUPAC[4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO.ClH/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12;/h1-9H,10,15H2;1H
InChIKeyXCBRWBLKNAXUAM-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.80
Rot. Bonds3

About [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride

[4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride (PubChem CID 2760962) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride
PubChem CID2760962
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name[4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO.ClH/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12;/h1-9H,10,15H2;1H
InChIKeyXCBRWBLKNAXUAM-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride (CID 2760962) is [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride is Cl.NCc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride?
The InChIKey is XCBRWBLKNAXUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.ClH/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12;/h1-9H,10,15H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride?
[4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 2760962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).