[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine

C14H19F2NOS — CID 81328856

IUPAC[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NOS/c1-9-2-3-10(8-17)14(6-9)19(18)13-5-4-11(15)7-12(13)16/h4-5,7,9-10,14H,2-3,6,8,17H2,1H3
InChIKeyLLGIXBFNBLMDPA-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.84
Rot. Bonds3

About [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine

[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine (PubChem CID 81328856) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
PubChem CID81328856
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(S(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NOS/c1-9-2-3-10(8-17)14(6-9)19(18)13-5-4-11(15)7-12(13)16/h4-5,7,9-10,14H,2-3,6,8,17H2,1H3
InChIKeyLLGIXBFNBLMDPA-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
CID 81334277
2-(2,4-difluorophenyl)sulfinyl-4-ethylcyclohexan-1-amine
CID 64652416
[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010421
2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
CID 64737324
2-(2,5-difluorophenyl)sulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64691937
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-(3,4-difluorophenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64653867
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
(2-butan-2-ylsulfinyl-4-methylcyclohexyl)methanamine
CID 81328634
2-(2,4-dimethylphenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64658119

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine (CID 81328856) is [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(S(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
The InChIKey is LLGIXBFNBLMDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-9-2-3-10(8-17)14(6-9)19(18)13-5-4-11(15)7-12(13)16/h4-5,7,9-10,14H,2-3,6,8,17H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine?
[2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine has a molecular weight of 287.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81328856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).