3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

C14H19F2NOS — CID 64717560

IUPAC3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-7-6-10(15)8-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyRAAQHVXJTKNODU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.99
Rot. Bonds4

About 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine

3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (PubChem CID 64717560) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
PubChem CID64717560
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-7-6-10(15)8-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3
InChIKeyRAAQHVXJTKNODU-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
3-(2,5-dimethylphenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64716954
4-(3-ethylcyclohexyl)sulfinyl-3-fluoroaniline
CID 81191814
N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64717388
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728
2-(2,4-difluorophenyl)sulfinyl-4-ethylcyclohexan-1-amine
CID 64652416
3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631539
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
CID 64722654

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine (CID 64717560) is 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is CCNC1CCCC(S(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
The InChIKey is RAAQHVXJTKNODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-2-17-11-4-3-5-12(9-11)19(18)14-7-6-10(15)8-13(14)16/h6-8,11-12,17H,2-5,9H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine?
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 64717560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).