1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine

C16H19ClN2S — CID 104736457

IUPAC1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(CSc1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C16H19ClN2S/c1-2-19-15(10-13-4-3-9-18-11-13)12-20-16-7-5-14(17)6-8-16/h3-9,11,15,19H,2,10,12H2,1H3
InChIKeyXSWBFVMSFYNCHG-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.05
Rot. Bonds7

About 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine

1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 104736457) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID104736457
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(CSc1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C16H19ClN2S/c1-2-19-15(10-13-4-3-9-18-11-13)12-20-16-7-5-14(17)6-8-16/h3-9,11,15,19H,2,10,12H2,1H3
InChIKeyXSWBFVMSFYNCHG-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551023
N-ethyl-1-ethylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736340
3-[3-(4-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-4-amine
CID 66144184
N-ethyl-1-propylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736344
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
1-(2,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62553243
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 104736457) is 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(CSc1ccc(Cl)cc1)Cc1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is XSWBFVMSFYNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-2-19-15(10-13-4-3-9-18-11-13)12-20-16-7-5-14(17)6-8-16/h3-9,11,15,19H,2,10,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 306.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 104736457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).