2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine

C18H27NOS — CID 104542586

IUPAC2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H27NOS/c1-2-19-17(13-21-16-6-4-3-5-7-16)14-8-9-18-15(12-14)10-11-20-18/h8-9,12,16-17,19H,2-7,10-11,13H2,1H3
InChIKeyHFJAWLUJAXTGEU-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.34
Rot. Bonds6

About 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine

2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine (PubChem CID 104542586) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
PubChem CID104542586
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H27NOS/c1-2-19-17(13-21-16-6-4-3-5-7-16)14-8-9-18-15(12-14)10-11-20-18/h8-9,12,16-17,19H,2-7,10-11,13H2,1H3
InChIKeyHFJAWLUJAXTGEU-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine (CID 104542586) is 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine is CCNC(CSC1CCCCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine?
The InChIKey is HFJAWLUJAXTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-2-19-17(13-21-16-6-4-3-5-7-16)14-8-9-18-15(12-14)10-11-20-18/h8-9,12,16-17,19H,2-7,10-11,13H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine?
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine has a molecular weight of 305.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine is sourced from PubChem (CID 104542586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).