2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine

C14H19F2NS — CID 64614748

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NS/c1-2-17-12-5-3-4-6-14(12)18-13-8-7-10(15)9-11(13)16/h7-9,12,14,17H,2-6H2,1H3
InChIKeyDPKZNCLPWXYQSH-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.98
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine

2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine (PubChem CID 64614748) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
PubChem CID64614748
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NS/c1-2-17-12-5-3-4-6-14(12)18-13-8-7-10(15)9-11(13)16/h7-9,12,14,17H,2-6H2,1H3
InChIKeyDPKZNCLPWXYQSH-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine (CID 64614748) is 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine is CCNC1CCCCC1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine?
The InChIKey is DPKZNCLPWXYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-2-17-12-5-3-4-6-14(12)18-13-8-7-10(15)9-11(13)16/h7-9,12,14,17H,2-6H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine?
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64614748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).