2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine

C17H26FNOS — CID 64659067

IUPAC2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-4-11-19-15-9-10-17(2,3)12-16(15)21(20)14-7-5-13(18)6-8-14/h5-8,15-16,19H,4,9-12H2,1-3H3
InChIKeyPWBDHLDANNZWPJ-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.88
Rot. Bonds5

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

2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64659067) has the molecular formula C17H26FNOS and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64659067
Molecular FormulaC17H26FNOS
Molecular Weight311.47 g/mol
Exact Mass311.17
IUPAC Name2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1S(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNOS/c1-4-11-19-15-9-10-17(2,3)12-16(15)21(20)14-7-5-13(18)6-8-14/h5-8,15-16,19H,4,9-12H2,1-3H3
InChIKeyPWBDHLDANNZWPJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(3-chlorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64660130
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308
2-(3,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658495
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
N-ethyl-3-(4-fluorophenyl)sulfinyloxan-4-amine
CID 64658485
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2-(3-chloro-4-fluorophenyl)sulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 115477286
2-(4-fluorophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64658093
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-propylcyclopentan-1-amine
CID 64651573
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine (CID 64659067) is 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)(C)CC1S(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is PWBDHLDANNZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNOS/c1-4-11-19-15-9-10-17(2,3)12-16(15)21(20)14-7-5-13(18)6-8-14/h5-8,15-16,19H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64659067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).