1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine

C16H23ClFNS — CID 107884779

IUPAC1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H23ClFNS/c1-2-19-13(11-20-14-5-3-4-6-14)9-12-7-8-15(17)16(18)10-12/h7-8,10,13-14,19H,2-6,9,11H2,1H3
InChIKeySASZFBCSKJTWBT-UHFFFAOYSA-N
MW315.88 g/mol
LogP4.68
Rot. Bonds7

About 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine

1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine (PubChem CID 107884779) has the molecular formula C16H23ClFNS and a molecular weight of 315.88 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
PubChem CID107884779
Molecular FormulaC16H23ClFNS
Molecular Weight315.88 g/mol
Exact Mass315.12
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H23ClFNS/c1-2-19-13(11-20-14-5-3-4-6-14)9-12-7-8-15(17)16(18)10-12/h7-8,10,13-14,19H,2-6,9,11H2,1H3
InChIKeySASZFBCSKJTWBT-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
1-(3-bromo-4-fluorophenyl)-3-cyclohexylsulfanyl-N-ethylpropan-2-amine
CID 65143955
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine (CID 107884779) is 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC1CCCC1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is SASZFBCSKJTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNS/c1-2-19-13(11-20-14-5-3-4-6-14)9-12-7-8-15(17)16(18)10-12/h7-8,10,13-14,19H,2-6,9,11H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 315.88 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 107884779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).