1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine

C14H12ClF3N2S — CID 63805451

IUPAC1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12ClF3N2S/c1-19-8-10-11(15)3-2-4-12(10)21-13-6-5-9(7-20-13)14(16,17)18/h2-7,19H,8H2,1H3
InChIKeyRKEVPQGHFIOMNF-UHFFFAOYSA-N
MW332.78 g/mol
LogP4.62
Rot. Bonds4

About 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine

1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 63805451) has the molecular formula C14H12ClF3N2S and a molecular weight of 332.78 g/mol. Its IUPAC name is 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
PubChem CID63805451
Molecular FormulaC14H12ClF3N2S
Molecular Weight332.78 g/mol
Exact Mass332.04
IUPAC Name1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H12ClF3N2S/c1-19-8-10-11(15)3-2-4-12(10)21-13-6-5-9(7-20-13)14(16,17)18/h2-7,19H,8H2,1H3
InChIKeyRKEVPQGHFIOMNF-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol
CID 103960715
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
1-[2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 113431904
1-[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809424
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[2-chloro-6-(2-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
CID 55239641
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63804931
2-[(2,6-dichlorophenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 2744963
1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 63809725
N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridin-2-amine
CID 79239135

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine (CID 63805451) is 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is RKEVPQGHFIOMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2S/c1-19-8-10-11(15)3-2-4-12(10)21-13-6-5-9(7-20-13)14(16,17)18/h2-7,19H,8H2,1H3.
What are the key properties of 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine?
1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 332.78 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 63805451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).