1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine

C13H14Cl2N2O — CID 83182758

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-16-12(5-9-3-4-18-8-9)13-11(15)6-10(14)7-17-13/h3-4,6-8,12,16H,2,5H2,1H3
InChIKeyNAAVQMUVZAPJGB-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.87
Rot. Bonds5

About 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine (PubChem CID 83182758) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
PubChem CID83182758
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-16-12(5-9-3-4-18-8-9)13-11(15)6-10(14)7-17-13/h3-4,6-8,12,16H,2,5H2,1H3
InChIKeyNAAVQMUVZAPJGB-UHFFFAOYSA-N
XLogP3.87
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
CID 83182559
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783715
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine (CID 83182758) is 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The InChIKey is NAAVQMUVZAPJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-16-12(5-9-3-4-18-8-9)13-11(15)6-10(14)7-17-13/h3-4,6-8,12,16H,2,5H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine has a molecular weight of 285.17 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).