3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline

C14H12ClF3N2 — CID 102881103

IUPAC3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
SMILESCc1cncc(CNc2cc(Cl)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12ClF3N2/c1-9-2-10(7-19-6-9)8-20-13-4-11(14(16,17)18)3-12(15)5-13/h2-7,20H,8H2,1H3
InChIKeyBZMBMVQIQUZKGP-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.67
Rot. Bonds3

About 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline

3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 102881103) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
PubChem CID102881103
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline
SMILESCc1cncc(CNc2cc(Cl)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12ClF3N2/c1-9-2-10(7-19-6-9)8-20-13-4-11(14(16,17)18)3-12(15)5-13/h2-7,20H,8H2,1H3
InChIKeyBZMBMVQIQUZKGP-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)aniline
CID 116699159
3-chloro-N-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 116699138
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-5-(trifluoromethyl)aniline
CID 116698872
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 104921789
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
4-[[3-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
CID 116699139
3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
CID 116699570
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)aniline
CID 102837817
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline (CID 102881103) is 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline is Cc1cncc(CNc2cc(Cl)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is BZMBMVQIQUZKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-9-2-10(7-19-6-9)8-20-13-4-11(14(16,17)18)3-12(15)5-13/h2-7,20H,8H2,1H3.
What are the key properties of 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline?
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 300.71 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 102881103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).