(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C14H12ClF3N2 — CID 107561604

IUPAC(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1ccc(C(N)c2ccc(C(F)(F)F)cn2)cc1Cl
InChIInChI=1S/C14H12ClF3N2/c1-8-2-3-9(6-11(8)15)13(19)12-5-4-10(7-20-12)14(16,17)18/h2-7,13H,19H2,1H3
InChIKeyZEKWSEHBYAFRSF-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.11
Rot. Bonds2

About (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 107561604) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID107561604
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCc1ccc(C(N)c2ccc(C(F)(F)F)cn2)cc1Cl
InChIInChI=1S/C14H12ClF3N2/c1-8-2-3-9(6-11(8)15)13(19)12-5-4-10(7-20-12)14(16,17)18/h2-7,13H,19H2,1H3
InChIKeyZEKWSEHBYAFRSF-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140396
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148490
[(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 107562414
(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107560543
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
2-(2,6-dimethylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105174687

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 107561604) is (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is Cc1ccc(C(N)c2ccc(C(F)(F)F)cn2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is ZEKWSEHBYAFRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-8-2-3-9(6-11(8)15)13(19)12-5-4-10(7-20-12)14(16,17)18/h2-7,13H,19H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 300.71 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 107561604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).