4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine

C17H26FNOS — CID 64657752

IUPAC4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1S(=O)c1ccccc1F
InChIInChI=1S/C17H26FNOS/c1-3-11-19-15-10-9-13(4-2)12-17(15)21(20)16-8-6-5-7-14(16)18/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyJKCZUTGSAWHPCJ-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.88
Rot. Bonds6

About 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine

4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64657752) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
PubChem CID64657752
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1S(=O)c1ccccc1F
InChIInChI=1S/C17H26FNOS/c1-3-11-19-15-10-9-13(4-2)12-17(15)21(20)16-8-6-5-7-14(16)18/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyJKCZUTGSAWHPCJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308
4-ethyl-2-(2-fluorophenyl)sulfinylcyclohexan-1-amine
CID 64658139
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
2-(2-fluorophenyl)sulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64689837
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
2-(2,4-difluorophenyl)sulfinyl-4-ethylcyclohexan-1-amine
CID 64652416
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (CID 64657752) is 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCC(CC)CC1S(=O)c1ccccc1F.
What is the InChIKey of 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is JKCZUTGSAWHPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-3-11-19-15-10-9-13(4-2)12-17(15)21(20)16-8-6-5-7-14(16)18/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64657752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).