N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine

C14H17ClN2S — CID 62599941

IUPACN-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C14H17ClN2S/c1-2-8-16-13(12-5-3-4-9-17-12)10-11-6-7-14(15)18-11/h3-7,9,13,16H,2,8,10H2,1H3
InChIKeyUNAUUPUQDHFRGF-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.08
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine (PubChem CID 62599941) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine
PubChem CID62599941
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)c1ccccn1
InChIInChI=1S/C14H17ClN2S/c1-2-8-16-13(12-5-3-4-9-17-12)10-11-6-7-14(15)18-11/h3-7,9,13,16H,2,8,10H2,1H3
InChIKeyUNAUUPUQDHFRGF-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1-pyridin-2-ylethyl]propan-1-amine
CID 107308391
N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105135164
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 115841861
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105135284
N-[1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841512
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-[1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841679
N-[1-(3-bromo-4-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841797

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine (CID 62599941) is N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)c1ccccn1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is UNAUUPUQDHFRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-2-8-16-13(12-5-3-4-9-17-12)10-11-6-7-14(15)18-11/h3-7,9,13,16H,2,8,10H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 280.82 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-1-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 62599941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).