2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

C14H19F2NS — CID 105105246

IUPAC2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1F)C1(C)CCCS1
InChIInChI=1S/C14H19F2NS/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(15)4-5-12(10)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyODUWDUQWZBRFLV-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.38
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine

2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105105246) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105105246
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1F)C1(C)CCCS1
InChIInChI=1S/C14H19F2NS/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(15)4-5-12(10)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyODUWDUQWZBRFLV-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 103052717
N-[2-(2,4-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105117632
2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105087640
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105094902
N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
CID 105159328
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
[2-(2,5-difluorophenyl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268629
N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105175075
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 102619155

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine (CID 105105246) is 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is CNC(Cc1cc(F)ccc1F)C1(C)CCCS1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is ODUWDUQWZBRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(15)4-5-12(10)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine?
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 271.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105105246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).