1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine

C14H14ClN — CID 11424756

IUPAC1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN/c1-16-10-11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9,16H,10H2,1H3
InChIKeyWDEPNINYBJWZNX-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.73
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine

1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine (PubChem CID 11424756) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
PubChem CID11424756
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN/c1-16-10-11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9,16H,10H2,1H3
InChIKeyWDEPNINYBJWZNX-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine (CID 11424756) is 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine is CNCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is WDEPNINYBJWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-16-10-11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9,16H,10H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine?
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine has a molecular weight of 231.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 11424756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).