2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine

C14H20FNS — CID 64620731

IUPAC2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1Sc1ccc(F)cc1
InChIInChI=1S/C14H20FNS/c1-10-3-8-13(16-2)14(9-10)17-12-6-4-11(15)5-7-12/h4-7,10,13-14,16H,3,8-9H2,1-2H3
InChIKeyOSCSKLKRWQZITH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine

2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine (PubChem CID 64620731) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
PubChem CID64620731
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1Sc1ccc(F)cc1
InChIInChI=1S/C14H20FNS/c1-10-3-8-13(16-2)14(9-10)17-12-6-4-11(15)5-7-12/h4-7,10,13-14,16H,3,8-9H2,1-2H3
InChIKeyOSCSKLKRWQZITH-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64619503
7-(4-fluorophenyl)sulfanyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64620912
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906351
N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927211
2-(3,4-difluorophenyl)sulfanyl-N-methylcyclohexan-1-amine
CID 64614934
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
2-(furan-2-ylmethylsulfanyl)-N,4-dimethylcyclohexan-1-amine
CID 64609500
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64647878
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine (CID 64620731) is 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
The InChIKey is OSCSKLKRWQZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-10-3-8-13(16-2)14(9-10)17-12-6-4-11(15)5-7-12/h4-7,10,13-14,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).