1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine

C16H25NS — CID 104755358

IUPAC1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)C2CCCCC2)cc1C
InChIInChI=1S/C16H25NS/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h8-10,14,16H,3-7,11,17H2,1-2H3
InChIKeyDKJYOWUTKFDILC-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.30
Rot. Bonds4

About 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine

1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine (PubChem CID 104755358) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
PubChem CID104755358
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)C2CCCCC2)cc1C
InChIInChI=1S/C16H25NS/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h8-10,14,16H,3-7,11,17H2,1-2H3
InChIKeyDKJYOWUTKFDILC-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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CID 44424448
(6-Methylthio-2-naphthyl)isopropylamine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine?
The IUPAC name of 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine (CID 104755358) is 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine is Cc1ccc(SCC(N)C2CCCCC2)cc1C.
What is the InChIKey of 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine?
The InChIKey is DKJYOWUTKFDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h8-10,14,16H,3-7,11,17H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine?
1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine is sourced from PubChem (CID 104755358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).