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

C14H12ClF3N2 — CID 102758356

IUPAC(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ccncc1Cl
InChIInChI=1S/C14H12ClF3N2/c1-8-6-9(14(16,17)18)2-3-10(8)13(19)11-4-5-20-7-12(11)15/h2-7,13H,19H2,1H3
InChIKeyYSAYVPOUCWRKPX-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.11
Rot. Bonds2

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

(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102758356) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102758356
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1ccncc1Cl
InChIInChI=1S/C14H12ClF3N2/c1-8-6-9(14(16,17)18)2-3-10(8)13(19)11-4-5-20-7-12(11)15/h2-7,13H,19H2,1H3
InChIKeyYSAYVPOUCWRKPX-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-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
(3-chloro-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105179062
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(2-methylpyrazol-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758165
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102758356) is (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YSAYVPOUCWRKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-8-6-9(14(16,17)18)2-3-10(8)13(19)11-4-5-20-7-12(11)15/h2-7,13H,19H2,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]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-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102758356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).