[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine

C14H20FNOS — CID 81334277

IUPAC[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(S(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNOS/c1-10-5-6-11(9-16)14(7-10)18(17)13-4-2-3-12(15)8-13/h2-4,8,10-11,14H,5-7,9,16H2,1H3
InChIKeyQOAFJVKJMWIEKE-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.70
Rot. Bonds3

About [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine

[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine (PubChem CID 81334277) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
PubChem CID81334277
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(S(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNOS/c1-10-5-6-11(9-16)14(7-10)18(17)13-4-2-3-12(15)8-13/h2-4,8,10-11,14H,5-7,9,16H2,1H3
InChIKeyQOAFJVKJMWIEKE-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
CID 81328856
[4-ethyl-2-(3-methylphenyl)sulfinylcyclohexyl]methanamine
CID 81333024
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-(3-fluorophenyl)sulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420348
2-(3,4-difluorophenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64653867
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010421
2-(4-tert-butylphenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64651162
[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
CID 115477506
(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
CID 81328634
[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
CID 115477515
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010425

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine (CID 81334277) is [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(S(=O)c2cccc(F)c2)C1.
What is the InChIKey of [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
The InChIKey is QOAFJVKJMWIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-10-5-6-11(9-16)14(7-10)18(17)13-4-2-3-12(15)8-13/h2-4,8,10-11,14H,5-7,9,16H2,1H3.
What are the key properties of [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine has a molecular weight of 269.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81334277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).