2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine

C18H29NOS — CID 64632442

IUPAC2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C18H29NOS/c1-3-19-18(14-21-17-8-6-5-7-9-17)15-10-12-16(13-11-15)20-4-2/h10-13,17-19H,3-9,14H2,1-2H3
InChIKeyXMMBKWOJDFPFQT-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.80
Rot. Bonds8

About 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine

2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine (PubChem CID 64632442) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
PubChem CID64632442
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC Name2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C18H29NOS/c1-3-19-18(14-21-17-8-6-5-7-9-17)15-10-12-16(13-11-15)20-4-2/h10-13,17-19H,3-9,14H2,1-2H3
InChIKeyXMMBKWOJDFPFQT-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine (CID 64632442) is 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine is CCNC(CSC1CCCCC1)c1ccc(OCC)cc1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is XMMBKWOJDFPFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-3-19-18(14-21-17-8-6-5-7-9-17)15-10-12-16(13-11-15)20-4-2/h10-13,17-19H,3-9,14H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 307.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 64632442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).