(4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine

C19H14ClF3N2 — CID 54179268

IUPAC(4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14ClF3N2/c20-15-9-5-12(6-10-15)17(24)16-2-1-11-25-18(16)13-3-7-14(8-4-13)19(21,22)23/h1-11,17H,24H2
InChIKeyPAQNYVLIJFIBEV-UHFFFAOYSA-N
MW362.78 g/mol
LogP5.47
Rot. Bonds3

About (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine

(4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine (PubChem CID 54179268) has the molecular formula C19H14ClF3N2 and a molecular weight of 362.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
PubChem CID54179268
Molecular FormulaC19H14ClF3N2
Molecular Weight362.78 g/mol
Exact Mass362.08
IUPAC Name(4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14ClF3N2/c20-15-9-5-12(6-10-15)17(24)16-2-1-11-25-18(16)13-3-7-14(8-4-13)19(21,22)23/h1-11,17H,24H2
InChIKeyPAQNYVLIJFIBEV-UHFFFAOYSA-N
XLogP5.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.78
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Desloratadine
CID 124087
Dexchlorpheniramine
CID 33036
(-)-Chlorpheniramine
CID 716121
2-(4'-Chlorobenzyl)pyridine
CID 78054
alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
2-(P-Chlorostyryl)pyridine
CID 219326
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
CID 56604850
2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)-pyridin-2-yl)acetonitrile (31)
CID 77014339
2-(4-Chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 2773827
7-chloro-N-[(4-fluorophenyl)methyl]quinolin-4-amine
CID 9311270

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine (CID 54179268) is (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine is NC(c1ccc(Cl)cc1)c1cccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
The InChIKey is PAQNYVLIJFIBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2/c20-15-9-5-12(6-10-15)17(24)16-2-1-11-25-18(16)13-3-7-14(8-4-13)19(21,22)23/h1-11,17H,24H2.
What are the key properties of (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine?
(4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine has a molecular weight of 362.78 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 54179268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).