N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine

C13H19F2NS — CID 114216048

IUPACN-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)C1CCCC(F)(F)C1
InChIInChI=1S/C13H19F2NS/c1-2-16-12(11-5-7-17-9-11)10-4-3-6-13(14,15)8-10/h5,7,9-10,12,16H,2-4,6,8H2,1H3
InChIKeyJLUZPRAFQDSYJK-UHFFFAOYSA-N
MW259.36 g/mol
LogP4.22
Rot. Bonds4

About N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine

N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 114216048) has the molecular formula C13H19F2NS and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID114216048
Molecular FormulaC13H19F2NS
Molecular Weight259.36 g/mol
Exact Mass259.12
IUPAC NameN-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)C1CCCC(F)(F)C1
InChIInChI=1S/C13H19F2NS/c1-2-16-12(11-5-7-17-9-11)10-4-3-6-13(14,15)8-10/h5,7,9-10,12,16H,2-4,6,8H2,1H3
InChIKeyJLUZPRAFQDSYJK-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
N-[(1,1-dioxothiolan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 115336829
1-(4,4-difluorocyclohexyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 105154096
1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine
CID 114284914
N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
CID 65104862
tert-butyl 3-[ethylamino(thiophen-3-yl)methyl]pyrrolidine-1-carboxylate
CID 107092467
N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
CID 55032865
3-cyclopentyl-N-ethyl-1-thiophen-3-ylpropan-1-amine
CID 104988399

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine (CID 114216048) is N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)C1CCCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is JLUZPRAFQDSYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-2-16-12(11-5-7-17-9-11)10-4-3-6-13(14,15)8-10/h5,7,9-10,12,16H,2-4,6,8H2,1H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine?
N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 114216048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).