2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine

C16H25NOS — CID 64658201

IUPAC2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CS(=O)C1CCCC(C)C1
InChIInChI=1S/C16H25NOS/c1-12-6-5-8-14(10-12)19(18)11-16(17)15-9-4-3-7-13(15)2/h3-4,7,9,12,14,16H,5-6,8,10-11,17H2,1-2H3
InChIKeyAGAJLNORESOCOJ-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine

2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine (PubChem CID 64658201) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
PubChem CID64658201
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)CS(=O)C1CCCC(C)C1
InChIInChI=1S/C16H25NOS/c1-12-6-5-8-14(10-12)19(18)11-16(17)15-9-4-3-7-13(15)2/h3-4,7,9,12,14,16H,5-6,8,10-11,17H2,1-2H3
InChIKeyAGAJLNORESOCOJ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64658392
1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64659368
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
CID 115559657
2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]acetamide
CID 119323096
2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64637194
(2R)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
CID 119323100
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
2-[(3-methylcyclohexyl)sulfinylmethyl]benzoic acid
CID 62721365
3-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide
CID 119323094
(2S)-2-amino-N-[(3-methylcyclohexyl)-(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119323091

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine (CID 64658201) is 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)CS(=O)C1CCCC(C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine?
The InChIKey is AGAJLNORESOCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12-6-5-8-14(10-12)19(18)11-16(17)15-9-4-3-7-13(15)2/h3-4,7,9,12,14,16H,5-6,8,10-11,17H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine?
2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfinyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64658201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).