1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C14H11ClF4N2 — CID 102708195

IUPAC1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C14H11ClF4N2/c1-20-13(8-3-2-4-11(15)12(8)16)9-7-21-6-5-10(9)14(17,18)19/h2-7,13,20H,1H3
InChIKeyITTAXYGHTAPHIL-UHFFFAOYSA-N
MW318.70 g/mol
LogP4.20
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708195) has the molecular formula C14H11ClF4N2 and a molecular weight of 318.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708195
Molecular FormulaC14H11ClF4N2
Molecular Weight318.70 g/mol
Exact Mass318.05
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cnccc1C(F)(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C14H11ClF4N2/c1-20-13(8-3-2-4-11(15)12(8)16)9-7-21-6-5-10(9)14(17,18)19/h2-7,13,20H,1H3
InChIKeyITTAXYGHTAPHIL-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 64714351
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708195) is 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1cnccc1C(F)(F)F)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is ITTAXYGHTAPHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2/c1-20-13(8-3-2-4-11(15)12(8)16)9-7-21-6-5-10(9)14(17,18)19/h2-7,13,20H,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 318.70 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).