4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine

C16H24FNS — CID 64620854

IUPAC4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(Sc2ccccc2F)C1
InChIInChI=1S/C16H24FNS/c1-16(2,3)11-8-9-13(18)15(10-11)19-14-7-5-4-6-12(14)17/h4-7,11,13,15H,8-10,18H2,1-3H3
InChIKeyRKUTUHRFZGIUSQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.46
Rot. Bonds2

About 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine

4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine (PubChem CID 64620854) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine
PubChem CID64620854
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(Sc2ccccc2F)C1
InChIInChI=1S/C16H24FNS/c1-16(2,3)11-8-9-13(18)15(10-11)19-14-7-5-4-6-12(14)17/h4-7,11,13,15H,8-10,18H2,1-3H3
InChIKeyRKUTUHRFZGIUSQ-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-4-tert-butylcyclohexan-1-amine
CID 64620611
2-(2-methoxyphenyl)sulfanyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64627123
4-tert-butyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64633672
2-[(5-bromo-2-pyridinyl)sulfanyl]-4-tert-butylcyclohexan-1-amine
CID 64630441
4-tert-butyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 115384222
4-tert-butyl-2-ethylsulfanylcyclohexan-1-amine
CID 64612553
[4-tert-butyl-2-[(2-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012146
2-(2-fluorophenyl)sulfanyl-3,5-dimethylcyclohexan-1-amine
CID 64737154
2-(2-chlorophenyl)sulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64622055
2-(2-fluorophenyl)sulfanyl-N,4-dimethylcyclohexan-1-amine
CID 64619503
4-tert-butyl-2-(2-methoxyphenoxy)cyclohexan-1-amine
CID 43093468
4-tert-butyl-2-(3-fluoro-4-methylphenyl)cyclohexan-1-amine
CID 107129553

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine (CID 64620854) is 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine is CC(C)(C)C1CCC(N)C(Sc2ccccc2F)C1.
What is the InChIKey of 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine?
The InChIKey is RKUTUHRFZGIUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-16(2,3)11-8-9-13(18)15(10-11)19-14-7-5-4-6-12(14)17/h4-7,11,13,15H,8-10,18H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine?
4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-fluorophenyl)sulfanylcyclohexan-1-amine is sourced from PubChem (CID 64620854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).