[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine

C17H27NS — CID 63404568

IUPAC[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2ccccc2C)C1
InChIInChI=1S/C17H27NS/c1-3-6-14-9-10-15(12-18)17(11-14)19-16-8-5-4-7-13(16)2/h4-5,7-8,14-15,17H,3,6,9-12,18H2,1-2H3
InChIKeyLSWFXCWYMYOJJY-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.63
Rot. Bonds5

About [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine

[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine (PubChem CID 63404568) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
PubChem CID63404568
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(Sc2ccccc2C)C1
InChIInChI=1S/C17H27NS/c1-3-6-14-9-10-15(12-18)17(11-14)19-16-8-5-4-7-13(16)2/h4-5,7-8,14-15,17H,3,6,9-12,18H2,1-2H3
InChIKeyLSWFXCWYMYOJJY-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine (CID 63404568) is [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(Sc2ccccc2C)C1.
What is the InChIKey of [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine?
The InChIKey is LSWFXCWYMYOJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-6-14-9-10-15(12-18)17(11-14)19-16-8-5-4-7-13(16)2/h4-5,7-8,14-15,17H,3,6,9-12,18H2,1-2H3.
What are the key properties of [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine?
[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine has a molecular weight of 277.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 63404568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).