N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine

C16H19Cl2NS — CID 107102196

IUPACN-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1cccc(Cl)c1C
InChIInChI=1S/C16H19Cl2NS/c1-3-9-19-15(10-12-7-8-16(18)20-12)13-5-4-6-14(17)11(13)2/h4-8,15,19H,3,9-10H2,1-2H3
InChIKeyYPDDOXMLAZYYFU-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.65
Rot. Bonds6

About N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine

N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 107102196) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
PubChem CID107102196
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC NameN-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1cccc(Cl)c1C
InChIInChI=1S/C16H19Cl2NS/c1-3-9-19-15(10-12-7-8-16(18)20-12)13-5-4-6-14(17)11(13)2/h4-8,15,19H,3,9-10H2,1-2H3
InChIKeyYPDDOXMLAZYYFU-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
N-[1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841512
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 115841861
N-[1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841882
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]propan-1-amine
CID 115840802
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine (CID 107102196) is N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)c1cccc(Cl)c1C.
What is the InChIKey of N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is YPDDOXMLAZYYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NS/c1-3-9-19-15(10-12-7-8-16(18)20-12)13-5-4-6-14(17)11(13)2/h4-8,15,19H,3,9-10H2,1-2H3.
What are the key properties of N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine?
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 328.31 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107102196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).