2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

C14H21F2NS — CID 114224891

IUPAC2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)c1cscc1C
InChIInChI=1S/C14H21F2NS/c1-10-8-18-9-12(10)13(17-2)6-11-4-3-5-14(15,16)7-11/h8-9,11,13,17H,3-7H2,1-2H3
InChIKeyKGEOESTWBYEPPY-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.53
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 114224891) has the molecular formula C14H21F2NS and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID114224891
Molecular FormulaC14H21F2NS
Molecular Weight273.39 g/mol
Exact Mass273.14
IUPAC Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)c1cscc1C
InChIInChI=1S/C14H21F2NS/c1-10-8-18-9-12(10)13(17-2)6-11-4-3-5-14(15,16)7-11/h8-9,11,13,17H,3-7H2,1-2H3
InChIKeyKGEOESTWBYEPPY-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,3-difluorocyclohexyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 114226056
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 114224917
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114224899
1-(5-chlorofuran-2-yl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114225805
5-chloro-2-[2-(3,3-difluorocyclohexyl)-1-hydrazinylethyl]aniline
CID 114225965
[2-(3,3-difluorocyclopentyl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 114226042
[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 114225939
1-(3-bromophenyl)-2-(3,3-difluorocyclopentyl)-N-methylethanamine
CID 114224776
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (CID 114224891) is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is CNC(CC1CCCC(F)(F)C1)c1cscc1C.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is KGEOESTWBYEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NS/c1-10-8-18-9-12(10)13(17-2)6-11-4-3-5-14(15,16)7-11/h8-9,11,13,17H,3-7H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 273.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 114224891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).