[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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Related Compounds

[2-[1-(4-ethylphenyl)ethylamino]cyclopentyl]methanol
CID 103786035
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103924816
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
[2-[1-(3-methoxyphenyl)ethylamino]cyclohexyl]methanol
CID 103729783
2,3-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentan-1-amine
CID 64908890
[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103784951
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine
CID 81354238

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).