N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine

C13H20ClNS — CID 65127726

IUPACN-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNS/c1-3-9-15-13(10-16-4-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyGEEDXPRGHGUJOB-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.13
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine

N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine (PubChem CID 65127726) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
PubChem CID65127726
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNS/c1-3-9-15-13(10-16-4-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3
InChIKeyGEEDXPRGHGUJOB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225335
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
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N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
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N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
N-[2-(4-chlorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66143609
N-[2-[(2-chlorophenyl)methylsulfanyl]-1-phenylethyl]propan-1-amine
CID 103291043
N-[1-(5-bromo-2-fluorophenyl)-2-ethylsulfanylethyl]propan-1-amine
CID 79743201
N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 79704216
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine (CID 65127726) is N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine is CCCNC(CSCC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine?
The InChIKey is GEEDXPRGHGUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-3-9-15-13(10-16-4-2)11-5-7-12(14)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine?
N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-ethylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65127726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).