1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine

C14H12ClF3N2O — CID 103444046

IUPAC1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1ncccc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-19-12(13-11(15)6-3-7-20-13)9-4-2-5-10(8-9)21-14(16,17)18/h2-8,12,19H,1H3
InChIKeyCICYEIDGBIOQNO-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine

1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 103444046) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID103444046
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cccc(OC(F)(F)F)c1)c1ncccc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-19-12(13-11(15)6-3-7-20-13)9-4-2-5-10(8-9)21-14(16,17)18/h2-8,12,19H,1H3
InChIKeyCICYEIDGBIOQNO-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916892
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
1-(3-chloro-2-pyridinyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 103444068
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 103444188
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145906
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 103444253
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
N-[(3-chloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103444525
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910
1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 103444046) is 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine is CNC(c1cccc(OC(F)(F)F)c1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is CICYEIDGBIOQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-19-12(13-11(15)6-3-7-20-13)9-4-2-5-10(8-9)21-14(16,17)18/h2-8,12,19H,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine?
1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 316.71 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methyl-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 103444046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).