1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine

C12H15F2NS — CID 105149389

IUPAC1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1c(F)cccc1F)C1CCSC1
InChIInChI=1S/C12H15F2NS/c1-15-12(8-5-6-16-7-8)11-9(13)3-2-4-10(11)14/h2-4,8,12,15H,5-7H2,1H3
InChIKeyOLLXBKHURRCOAJ-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine

1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine (PubChem CID 105149389) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
PubChem CID105149389
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1c(F)cccc1F)C1CCSC1
InChIInChI=1S/C12H15F2NS/c1-15-12(8-5-6-16-7-8)11-9(13)3-2-4-10(11)14/h2-4,8,12,15H,5-7H2,1H3
InChIKeyOLLXBKHURRCOAJ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-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-(5-bromo-2-fluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105167402
1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105143702
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105172123
1-(4,4-difluorocyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 105149449
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859863
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(thiolan-3-yl)methanamine
CID 102757902
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine (CID 105149389) is 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine is CNC(c1c(F)cccc1F)C1CCSC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The InChIKey is OLLXBKHURRCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-15-12(8-5-6-16-7-8)11-9(13)3-2-4-10(11)14/h2-4,8,12,15H,5-7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine has a molecular weight of 243.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105149389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).