1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine

C18H29NOS — CID 64659368

IUPAC1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
SMILESCNC(CS(=O)C1CCCC(C)C1)c1ccc(C)cc1C
InChIInChI=1S/C18H29NOS/c1-13-6-5-7-16(11-13)21(20)12-18(19-4)17-9-8-14(2)10-15(17)3/h8-10,13,16,18-19H,5-7,11-12H2,1-4H3
InChIKeyPPODHYZCUMJSJU-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.89
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine

1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine (PubChem CID 64659368) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
PubChem CID64659368
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine
SMILESCNC(CS(=O)C1CCCC(C)C1)c1ccc(C)cc1C
InChIInChI=1S/C18H29NOS/c1-13-6-5-7-16(11-13)21(20)12-18(19-4)17-9-8-14(2)10-15(17)3/h8-10,13,16,18-19H,5-7,11-12H2,1-4H3
InChIKeyPPODHYZCUMJSJU-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63468141
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64655258
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfinyl)-N-methylethanamine
CID 64657635
1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63468718
2-cyclopentylsulfinyl-N-methyl-1-naphthalen-2-ylethanamine
CID 64655445
1-(2-ethoxyphenyl)-2-(3-methylcyclohexyl)sulfinylethanamine
CID 64658392
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,4-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]-N-methylethanamine
CID 63972298
1-(2,4-dimethylphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylethanamine
CID 83227091
2-(3-methylcyclohexyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64637194
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine (CID 64659368) is 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine is CNC(CS(=O)C1CCCC(C)C1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine?
The InChIKey is PPODHYZCUMJSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-13-6-5-7-16(11-13)21(20)12-18(19-4)17-9-8-14(2)10-15(17)3/h8-10,13,16,18-19H,5-7,11-12H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine?
1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine has a molecular weight of 307.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfinylethanamine is sourced from PubChem (CID 64659368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).