4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine

C16H25NOS — CID 64658995

IUPAC4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(S(=O)Cc2ccccc2C)C1
InChIInChI=1S/C16H25NOS/c1-3-13-8-9-15(17)16(10-13)19(18)11-14-7-5-4-6-12(14)2/h4-7,13,15-16H,3,8-11,17H2,1-2H3
InChIKeyJVFRLKLFBRMTNW-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.15
Rot. Bonds4

About 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine

4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine (PubChem CID 64658995) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
PubChem CID64658995
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(S(=O)Cc2ccccc2C)C1
InChIInChI=1S/C16H25NOS/c1-3-13-8-9-15(17)16(10-13)19(18)11-14-7-5-4-6-12(14)2/h4-7,13,15-16H,3,8-11,17H2,1-2H3
InChIKeyJVFRLKLFBRMTNW-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64657822
4-ethyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64654145
2-[(2-chlorophenyl)methylsulfinyl]-4-propylcyclohexan-1-amine
CID 103290362
[2-[(2-methylphenyl)methylsulfinyl]cyclopentyl]methanamine
CID 81333753
4-ethyl-2-(2-fluorophenyl)sulfinylcyclohexan-1-amine
CID 64658139
4-ethyl-2-methylsulfinylcyclohexan-1-amine
CID 64656221
N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-amine
CID 79863138
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
2-(2,4-difluorophenyl)sulfinyl-4-ethylcyclohexan-1-amine
CID 64652416
2-(3,4-dimethylphenyl)sulfinyl-4-propylcyclohexan-1-amine
CID 64659467
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
3-[(2-methylphenyl)methylsulfinyl]cyclopentan-1-one
CID 64724919

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine (CID 64658995) is 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine is CCC1CCC(N)C(S(=O)Cc2ccccc2C)C1.
What is the InChIKey of 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
The InChIKey is JVFRLKLFBRMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-13-8-9-15(17)16(10-13)19(18)11-14-7-5-4-6-12(14)2/h4-7,13,15-16H,3,8-11,17H2,1-2H3.
What are the key properties of 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine?
4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methylphenyl)methylsulfinyl]cyclohexan-1-amine is sourced from PubChem (CID 64658995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).