N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine

C14H17ClN2S — CID 75428352

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(NC(C)c1ccc(Cl)s1)c1ccncc1
InChIInChI=1S/C14H17ClN2S/c1-3-12(11-6-8-16-9-7-11)17-10(2)13-4-5-14(15)18-13/h4-10,12,17H,3H2,1-2H3
InChIKeyXFXVLBCNKBTISY-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.60
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 75428352) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
PubChem CID75428352
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(NC(C)c1ccc(Cl)s1)c1ccncc1
InChIInChI=1S/C14H17ClN2S/c1-3-12(11-6-8-16-9-7-11)17-10(2)13-4-5-14(15)18-13/h4-10,12,17H,3H2,1-2H3
InChIKeyXFXVLBCNKBTISY-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine (CID 75428352) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine is CCC(NC(C)c1ccc(Cl)s1)c1ccncc1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is XFXVLBCNKBTISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-12(11-6-8-16-9-7-11)17-10(2)13-4-5-14(15)18-13/h4-10,12,17H,3H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 280.82 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 75428352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).