1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine

C16H24BrNS — CID 65140515

IUPAC1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1cccc(Br)c1
InChIInChI=1S/C16H24BrNS/c1-2-18-15(12-19-16-8-3-4-9-16)11-13-6-5-7-14(17)10-13/h5-7,10,15-16,18H,2-4,8-9,11-12H2,1H3
InChIKeyPSQQNPBIIRJUHA-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.65
Rot. Bonds7

About 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine

1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine (PubChem CID 65140515) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
PubChem CID65140515
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC Name1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1cccc(Br)c1
InChIInChI=1S/C16H24BrNS/c1-2-18-15(12-19-16-8-3-4-9-16)11-13-6-5-7-14(17)10-13/h5-7,10,15-16,18H,2-4,8-9,11-12H2,1H3
InChIKeyPSQQNPBIIRJUHA-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(3-bromophenyl)-3-(3-bromophenyl)sulfanyl-N-ethylpropan-2-amine
CID 66161199
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine (CID 65140515) is 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC1CCCC1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is PSQQNPBIIRJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-2-18-15(12-19-16-8-3-4-9-16)11-13-6-5-7-14(17)10-13/h5-7,10,15-16,18H,2-4,8-9,11-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 342.35 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 65140515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).