[3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine

C15H23NS — CID 66355807

IUPAC[3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine
SMILESCCC1CCC(Sc2cccc(CN)c2)CC1
InChIInChI=1S/C15H23NS/c1-2-12-6-8-14(9-7-12)17-15-5-3-4-13(10-15)11-16/h3-5,10,12,14H,2,6-9,11,16H2,1H3
InChIKeyOAADXUOANUWPBC-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.21
Rot. Bonds4

About [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine

[3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine (PubChem CID 66355807) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine
PubChem CID66355807
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name[3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine
SMILESCCC1CCC(Sc2cccc(CN)c2)CC1
InChIInChI=1S/C15H23NS/c1-2-12-6-8-14(9-7-12)17-15-5-3-4-13(10-15)11-16/h3-5,10,12,14H,2,6-9,11,16H2,1H3
InChIKeyOAADXUOANUWPBC-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-ethylcyclohexyl)sulfanylphenyl]ethanone
CID 64774486
[3-(4-ethylcycloheptyl)phenyl]methanamine
CID 123307972
4-(4-ethylcyclohexyl)sulfanylphenol
CID 64775882
(3-propylsulfanylphenyl)methanamine
CID 66356001
(3-cyclohexylsulfanylphenyl)methanol
CID 66348157
1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine
CID 66349185
[3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)phenyl]methanamine
CID 79922948
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756
[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
CID 63404764
3-cycloheptylsulfanylaniline
CID 82929136
methyl 2-(3-cyclopentylsulfanylphenyl)acetate
CID 86049083
5-chloro-2-(4-ethylcyclohexyl)sulfanylaniline
CID 64747924

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine?
The IUPAC name of [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine (CID 66355807) is [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine?
The canonical SMILES for [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine is CCC1CCC(Sc2cccc(CN)c2)CC1.
What is the InChIKey of [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine?
The InChIKey is OAADXUOANUWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-12-6-8-14(9-7-12)17-15-5-3-4-13(10-15)11-16/h3-5,10,12,14H,2,6-9,11,16H2,1H3.
What are the key properties of [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine?
[3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine has a molecular weight of 249.42 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylcyclohexyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 66355807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).