1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine

C17H27NOS — CID 65139316

IUPAC1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1cccc(OC)c1
InChIInChI=1S/C17H27NOS/c1-3-18-15(13-20-17-9-4-5-10-17)11-14-7-6-8-16(12-14)19-2/h6-8,12,15,17-18H,3-5,9-11,13H2,1-2H3
InChIKeyNFRZDRBQSQRJQH-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.89
Rot. Bonds8

About 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine

1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 65139316) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
PubChem CID65139316
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1cccc(OC)c1
InChIInChI=1S/C17H27NOS/c1-3-18-15(13-20-17-9-4-5-10-17)11-14-7-6-8-16(12-14)19-2/h6-8,12,15,17-18H,3-5,9-11,13H2,1-2H3
InChIKeyNFRZDRBQSQRJQH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-cyclopentyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61063977
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-cyclohexyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 61064502
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
N-ethyl-2-(3-methoxyphenyl)-1-(1-methylpiperidin-2-yl)ethanamine
CID 70565355
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine (CID 65139316) is 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine is CCNC(CSC1CCCC1)Cc1cccc(OC)c1.
What is the InChIKey of 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is NFRZDRBQSQRJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-18-15(13-20-17-9-4-5-10-17)11-14-7-6-8-16(12-14)19-2/h6-8,12,15,17-18H,3-5,9-11,13H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine?
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 65139316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).