2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine

C18H29NOS — CID 64659873

IUPAC2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H29NOS/c1-5-15-8-9-16(19-6-2)18(12-15)21(20)17-10-7-13(3)11-14(17)4/h7,10-11,15-16,18-19H,5-6,8-9,12H2,1-4H3
InChIKeyHVTAQLNWFBQCQR-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.97
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine

2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine (PubChem CID 64659873) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
PubChem CID64659873
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)c1ccc(C)cc1C
InChIInChI=1S/C18H29NOS/c1-5-15-8-9-16(19-6-2)18(12-15)21(20)17-10-7-13(3)11-14(17)4/h7,10-11,15-16,18-19H,5-6,8-9,12H2,1-4H3
InChIKeyHVTAQLNWFBQCQR-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63475594
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216
4-ethyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64654145
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine (CID 64659873) is 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1S(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
The InChIKey is HVTAQLNWFBQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-5-15-8-9-16(19-6-2)18(12-15)21(20)17-10-7-13(3)11-14(17)4/h7,10-11,15-16,18-19H,5-6,8-9,12H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine?
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 64659873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).