2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine

C15H23NS — CID 64633626

IUPAC2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)CSC2CCCCC2)c1
InChIInChI=1S/C15H23NS/c1-12-6-5-7-13(10-12)15(16)11-17-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11,16H2,1H3
InChIKeyDGJGNSXTFGPZGA-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine

2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine (PubChem CID 64633626) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
PubChem CID64633626
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)CSC2CCCCC2)c1
InChIInChI=1S/C15H23NS/c1-12-6-5-7-13(10-12)15(16)11-17-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11,16H2,1H3
InChIKeyDGJGNSXTFGPZGA-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 65138818
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 65139652
2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288993
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
[2-cyclohexylsulfanyl-1-(3-ethylphenyl)ethyl]hydrazine
CID 105227705
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine (CID 64633626) is 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine is Cc1cccc(C(N)CSC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine?
The InChIKey is DGJGNSXTFGPZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12-6-5-7-13(10-12)15(16)11-17-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11,16H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine?
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 64633626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).