N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine

C17H27NOS — CID 64619900

IUPACN-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1cccc(OC)c1
InChIInChI=1S/C17H27NOS/c1-5-18-15-9-10-17(2,3)12-16(15)20-14-8-6-7-13(11-14)19-4/h6-8,11,15-16,18H,5,9-10,12H2,1-4H3
InChIKeyIJKQDAFIMBXZAU-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.34
Rot. Bonds5

About N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine

N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64619900) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64619900
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1Sc1cccc(OC)c1
InChIInChI=1S/C17H27NOS/c1-5-18-15-9-10-17(2,3)12-16(15)20-14-8-6-7-13(11-14)19-4/h6-8,11,15-16,18H,5,9-10,12H2,1-4H3
InChIKeyIJKQDAFIMBXZAU-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64621898
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-4,4-dimethylcyclohexan-1-amine
CID 64648078
N-ethyl-4,4-dimethyl-2-(4-propan-2-ylphenyl)sulfanylcyclohexan-1-amine
CID 64622047
2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
CID 64722463
7-(3-bromophenyl)sulfanyl-N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64632779
[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
CID 43530342
2-(3-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 43293041
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine (CID 64619900) is N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1Sc1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is IJKQDAFIMBXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-15-9-10-17(2,3)12-16(15)20-14-8-6-7-13(11-14)19-4/h6-8,11,15-16,18H,5,9-10,12H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine?
N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64619900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).