[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine

C16H25NOS — CID 43530342

IUPAC[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2cccc(OC)c2)C1
InChIInChI=1S/C16H25NOS/c1-3-12-7-8-13(11-17)16(9-12)19-15-6-4-5-14(10-15)18-2/h4-6,10,12-13,16H,3,7-9,11,17H2,1-2H3
InChIKeyNOLMAIARBLTQQY-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.94
Rot. Bonds5

About [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine

[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine (PubChem CID 43530342) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
PubChem CID43530342
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Sc2cccc(OC)c2)C1
InChIInChI=1S/C16H25NOS/c1-3-12-7-8-13(11-17)16(9-12)19-15-6-4-5-14(10-15)18-2/h4-6,10,12-13,16H,3,7-9,11,17H2,1-2H3
InChIKeyNOLMAIARBLTQQY-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
CID 63404764
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
CID 43530144
[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 43530476
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
2-(3-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 43293041
[2-(4-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43530264
N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
CID 64722463
4-ethyl-2-(4-methoxyphenyl)sulfanylcyclohexane-1-carboxylic acid
CID 63099271
2-(4-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64613900
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine (CID 43530342) is [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine is CCC1CCC(CN)C(Sc2cccc(OC)c2)C1.
What is the InChIKey of [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine?
The InChIKey is NOLMAIARBLTQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-12-7-8-13(11-17)16(9-12)19-15-6-4-5-14(10-15)18-2/h4-6,10,12-13,16H,3,7-9,11,17H2,1-2H3.
What are the key properties of [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine?
[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine has a molecular weight of 279.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine is sourced from PubChem (CID 43530342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).