1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine

C15H13ClF3N — CID 66159705

IUPAC1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3N/c1-20-9-11-8-13(16)6-7-14(11)10-2-4-12(5-3-10)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyZUDAIZDCWGRNSS-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.75
Rot. Bonds3

About 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine

1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine (PubChem CID 66159705) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
PubChem CID66159705
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3N/c1-20-9-11-8-13(16)6-7-14(11)10-2-4-12(5-3-10)15(17,18)19/h2-8,20H,9H2,1H3
InChIKeyZUDAIZDCWGRNSS-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine (CID 66159705) is 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
The InChIKey is ZUDAIZDCWGRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-20-9-11-8-13(16)6-7-14(11)10-2-4-12(5-3-10)15(17,18)19/h2-8,20H,9H2,1H3.
What are the key properties of 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66159705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).