[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol

C16H25NOS — CID 103717066

IUPAC[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
SMILESCSc1ccc(C(C)NC2CCCCC2CO)cc1
InChIInChI=1S/C16H25NOS/c1-12(13-7-9-15(19-2)10-8-13)17-16-6-4-3-5-14(16)11-18/h7-10,12,14,16-18H,3-6,11H2,1-2H3
InChIKeyOWRYDOSBRYGNFE-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.61
Rot. Bonds5

About [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol

[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol (PubChem CID 103717066) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
PubChem CID103717066
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
SMILESCSc1ccc(C(C)NC2CCCCC2CO)cc1
InChIInChI=1S/C16H25NOS/c1-12(13-7-9-15(19-2)10-8-13)17-16-6-4-3-5-14(16)11-18/h7-10,12,14,16-18H,3-6,11H2,1-2H3
InChIKeyOWRYDOSBRYGNFE-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol (CID 103717066) is [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol is CSc1ccc(C(C)NC2CCCCC2CO)cc1.
What is the InChIKey of [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol?
The InChIKey is OWRYDOSBRYGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-12(13-7-9-15(19-2)10-8-13)17-16-6-4-3-5-14(16)11-18/h7-10,12,14,16-18H,3-6,11H2,1-2H3.
What are the key properties of [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol?
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol has a molecular weight of 279.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103717066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).