1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine

C12H15F2NS — CID 105143702

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1F)C1CCSC1
InChIInChI=1S/C12H15F2NS/c1-15-12(8-4-5-16-7-8)10-3-2-9(13)6-11(10)14/h2-3,6,8,12,15H,4-5,7H2,1H3
InChIKeyWEGUGBSDTLZMGD-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.98
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine

1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine (PubChem CID 105143702) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
PubChem CID105143702
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1F)C1CCSC1
InChIInChI=1S/C12H15F2NS/c1-15-12(8-4-5-16-7-8)10-3-2-9(13)6-11(10)14/h2-3,6,8,12,15H,4-5,7H2,1H3
InChIKeyWEGUGBSDTLZMGD-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

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Related Compounds

N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
1-(2,4-difluorophenyl)-1-(1,4-dithian-2-yl)-N-methylmethanamine
CID 79966631
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105167402
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957084
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
1-(2,6-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105149389
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(thiolan-3-yl)methanamine
CID 102757902
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine (CID 105143702) is 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine is CNC(c1ccc(F)cc1F)C1CCSC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The InChIKey is WEGUGBSDTLZMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-15-12(8-4-5-16-7-8)10-3-2-9(13)6-11(10)14/h2-3,6,8,12,15H,4-5,7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
1-(2,4-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-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105143702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).