1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine

C28H23ClF4N2O — CID 58921547

IUPAC1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine
SMILESCOc1ccccc1CNC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C28H23ClF4N2O/c1-36-25-10-6-5-9-20(25)17-35-27(16-19-7-3-2-4-8-19,26-12-11-23(29)18-34-26)21-13-22(28(31,32)33)15-24(30)14-21/h2-15,18,35H,16-17H2,1H3
InChIKeyPWVJTDBSCYEPPF-UHFFFAOYSA-N
MW514.95 g/mol
LogP7.18
Rot. Bonds8

About 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine

1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine (PubChem CID 58921547) has the molecular formula C28H23ClF4N2O and a molecular weight of 514.95 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine
PubChem CID58921547
Molecular FormulaC28H23ClF4N2O
Molecular Weight514.95 g/mol
Exact Mass514.14
IUPAC Name1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine
SMILESCOc1ccccc1CNC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C28H23ClF4N2O/c1-36-25-10-6-5-9-20(25)17-35-27(16-19-7-3-2-4-8-19,26-12-11-23(29)18-34-26)21-13-22(28(31,32)33)15-24(30)14-21/h2-15,18,35H,16-17H2,1H3
InChIKeyPWVJTDBSCYEPPF-UHFFFAOYSA-N
XLogP7.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.95
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine (CID 58921547) is 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine is COc1ccccc1CNC(Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine?
The InChIKey is PWVJTDBSCYEPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF4N2O/c1-36-25-10-6-5-9-20(25)17-35-27(16-19-7-3-2-4-8-19,26-12-11-23(29)18-34-26)21-13-22(28(31,32)33)15-24(30)14-21/h2-15,18,35H,16-17H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine?
1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine has a molecular weight of 514.95 g/mol, XLogP of 7.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2-methoxyphenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 58921547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).