N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine

C13H14Cl2N2S — CID 43497750

IUPACN-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-2-5-17-12(9-3-6-16-7-4-9)10-8-11(14)18-13(10)15/h3-4,6-8,12,17H,2,5H2,1H3
InChIKeyLSUQUTRWCYYURA-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.54
Rot. Bonds5

About N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine

N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 43497750) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID43497750
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-2-5-17-12(9-3-6-16-7-4-9)10-8-11(14)18-13(10)15/h3-4,6-8,12,17H,2,5H2,1H3
InChIKeyLSUQUTRWCYYURA-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497805
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(2,5-dichlorothiophen-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 107968400
N-[(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107968268
N-[(2,5-dichlorothiophen-3-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820113
N-[(5-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 114021153
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
N-[(2,5-dichlorothiophen-3-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 43497806
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(4-bromothiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 107968705

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine (CID 43497750) is N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is LSUQUTRWCYYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-2-5-17-12(9-3-6-16-7-4-9)10-8-11(14)18-13(10)15/h3-4,6-8,12,17H,2,5H2,1H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 301.24 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 43497750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).