[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine

C15H16ClN — CID 66159326

IUPAC[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
SMILESCc1ccc(C)c(-c2ccc(Cl)cc2CN)c1
InChIInChI=1S/C15H16ClN/c1-10-3-4-11(2)15(7-10)14-6-5-13(16)8-12(14)9-17/h3-8H,9,17H2,1-2H3
InChIKeyGRHOATHHRHZSHH-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.08
Rot. Bonds2

About [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine

[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine (PubChem CID 66159326) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
PubChem CID66159326
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine
SMILESCc1ccc(C)c(-c2ccc(Cl)cc2CN)c1
InChIInChI=1S/C15H16ClN/c1-10-3-4-11(2)15(7-10)14-6-5-13(16)8-12(14)9-17/h3-8H,9,17H2,1-2H3
InChIKeyGRHOATHHRHZSHH-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine (CID 66159326) is [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine is Cc1ccc(C)c(-c2ccc(Cl)cc2CN)c1.
What is the InChIKey of [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine?
The InChIKey is GRHOATHHRHZSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-10-3-4-11(2)15(7-10)14-6-5-13(16)8-12(14)9-17/h3-8H,9,17H2,1-2H3.
What are the key properties of [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine?
[5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine has a molecular weight of 245.75 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,5-dimethylphenyl)phenyl]methanamine is sourced from PubChem (CID 66159326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).