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

C15H21ClFNS — CID 114855831

IUPAC1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
SMILESCNC(CSC1CCCC1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H21ClFNS/c1-18-13(10-19-14-4-2-3-5-14)8-11-6-7-12(16)9-15(11)17/h6-7,9,13-14,18H,2-5,8,10H2,1H3
InChIKeyUUECDVOFFRCDQD-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.29
Rot. Bonds6

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

1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine (PubChem CID 114855831) has the molecular formula C15H21ClFNS and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
PubChem CID114855831
Molecular FormulaC15H21ClFNS
Molecular Weight301.86 g/mol
Exact Mass301.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
SMILESCNC(CSC1CCCC1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H21ClFNS/c1-18-13(10-19-14-4-2-3-5-14)8-11-6-7-12(16)9-15(11)17/h6-7,9,13-14,18H,2-5,8,10H2,1H3
InChIKeyUUECDVOFFRCDQD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
1-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139957
1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 65138833
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine (CID 114855831) is 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine is CNC(CSC1CCCC1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine?
The InChIKey is UUECDVOFFRCDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNS/c1-18-13(10-19-14-4-2-3-5-14)8-11-6-7-12(16)9-15(11)17/h6-7,9,13-14,18H,2-5,8,10H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 114855831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).