1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

C14H15F2NS — CID 107513662

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCNC(c1cscc1C)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H15F2NS/c1-8-4-5-10(13(16)12(8)15)14(17-3)11-7-18-6-9(11)2/h4-7,14,17H,1-3H3
InChIKeyRWBBSRITEDWQCX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.95
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (PubChem CID 107513662) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
PubChem CID107513662
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCNC(c1cscc1C)c1ccc(C)c(F)c1F
InChIInChI=1S/C14H15F2NS/c1-8-4-5-10(13(16)12(8)15)14(17-3)11-7-18-6-9(11)2/h4-7,14,17H,1-3H3
InChIKeyRWBBSRITEDWQCX-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine 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

1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800
N-methyl-1-(4-methylthiophen-3-yl)-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 79802613
N-methyl-1-(4-methylthiophen-3-yl)-1-(4-propan-2-ylphenyl)methanamine
CID 79802990
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 106649323
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (CID 107513662) is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is CNC(c1cscc1C)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The InChIKey is RWBBSRITEDWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-8-4-5-10(13(16)12(8)15)14(17-3)11-7-18-6-9(11)2/h4-7,14,17H,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine has a molecular weight of 267.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 107513662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).