[4-(3-chlorophenyl)phenyl]methanamine;hydrochloride

C13H13Cl2N — CID 57365261

IUPAC[4-(3-chlorophenyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H12ClN.ClH/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11;/h1-8H,9,15H2;1H
InChIKeySLUZNNFPTBTUHE-UHFFFAOYSA-N
MW254.16 g/mol
LogP3.89
Rot. Bonds2

About [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride

[4-(3-chlorophenyl)phenyl]methanamine;hydrochloride (PubChem CID 57365261) has the molecular formula C13H13Cl2N and a molecular weight of 254.16 g/mol. Its IUPAC name is [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(3-chlorophenyl)phenyl]methanamine;hydrochloride
PubChem CID57365261
Molecular FormulaC13H13Cl2N
Molecular Weight254.16 g/mol
Exact Mass253.04
IUPAC Name[4-(3-chlorophenyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C13H12ClN.ClH/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11;/h1-8H,9,15H2;1H
InChIKeySLUZNNFPTBTUHE-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride (CID 57365261) is [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride?
The InChIKey is SLUZNNFPTBTUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN.ClH/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11;/h1-8H,9,15H2;1H.
What are the key properties of [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride?
[4-(3-chlorophenyl)phenyl]methanamine;hydrochloride has a molecular weight of 254.16 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 57365261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).