[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine

C14H20FNS — CID 66071209

IUPAC[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(Sc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNS/c1-11-5-7-14(10-16,8-6-11)17-13-4-2-3-12(15)9-13/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyYHCDQUYFHXCYPI-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.83
Rot. Bonds3

About [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine

[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine (PubChem CID 66071209) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
PubChem CID66071209
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(Sc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FNS/c1-11-5-7-14(10-16,8-6-11)17-13-4-2-3-12(15)9-13/h2-4,9,11H,5-8,10,16H2,1H3
InChIKeyYHCDQUYFHXCYPI-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((4-Methylphenyl)sulfanyl)cyclopentyl)methanamine
CID 66066343
2-(4-Fluorophenyl)-6-(4-methylphenyl)sulfanylhexan-1-amine;hydrochloride
CID 45262841
2-(4-Fluorophenyl)-7-(4-methylphenyl)sulfanylheptan-1-amine;hydrochloride
CID 45262872
2-(4-Fluorophenyl)-5-(4-methylphenyl)sulfanylpentan-1-amine;hydrochloride
CID 45265536
(Z)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
CID 25013960
{4-[(4-Fluorophenyl)sulfanyl]phenyl}methanamine
CID 43528882
3-Fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
CID 66982557
(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
CID 66982835
(1Z,3E)-3-(2-fluoro-4-methylphenyl)sulfanylhexa-1,3,5-trien-1-amine
CID 89311770
4-(4-Fluoro-3-methylsulfanylphenyl)butan-1-amine
CID 117304544
3-[5-(Cyclohexylmethylsulfanyl)-2-fluorophenyl]propan-1-amine
CID 143954764
[4-[[(4-Fluorophenyl)sulfanylamino]methyl]cyclohexyl]methanamine
CID 144105666

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine (CID 66071209) is [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine is CC1CCC(CN)(Sc2cccc(F)c2)CC1.
What is the InChIKey of [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The InChIKey is YHCDQUYFHXCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-11-5-7-14(10-16,8-6-11)17-13-4-2-3-12(15)9-13/h2-4,9,11H,5-8,10,16H2,1H3.
What are the key properties of [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 66071209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).