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

C17H27NS — CID 65140412

IUPAC1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1ccccc1C
InChIInChI=1S/C17H27NS/c1-3-18-16(13-19-17-10-6-7-11-17)12-15-9-5-4-8-14(15)2/h4-5,8-9,16-18H,3,6-7,10-13H2,1-2H3
InChIKeyCHQVHAJDUFOGQC-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.19
Rot. Bonds7

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

1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 65140412) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
PubChem CID65140412
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1ccccc1C
InChIInChI=1S/C17H27NS/c1-3-18-16(13-19-17-10-6-7-11-17)12-15-9-5-4-8-14(15)2/h4-5,8-9,16-18H,3,6-7,10-13H2,1-2H3
InChIKeyCHQVHAJDUFOGQC-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine (CID 65140412) is 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine is CCNC(CSC1CCCC1)Cc1ccccc1C.
What is the InChIKey of 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is CHQVHAJDUFOGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-18-16(13-19-17-10-6-7-11-17)12-15-9-5-4-8-14(15)2/h4-5,8-9,16-18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine?
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 65140412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).