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

C11H10Cl2N2O — CID 83182559

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
SMILESNC(Cc1ccoc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-4-9(13)11(15-5-8)10(14)3-7-1-2-16-6-7/h1-2,4-6,10H,3,14H2
InChIKeyITSUEKHAPRJNMB-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.22
Rot. Bonds3

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

1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine (PubChem CID 83182559) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
PubChem CID83182559
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
SMILESNC(Cc1ccoc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-4-9(13)11(15-5-8)10(14)3-7-1-2-16-6-7/h1-2,4-6,10H,3,14H2
InChIKeyITSUEKHAPRJNMB-UHFFFAOYSA-N
XLogP3.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182758
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
2-(furan-3-yl)-1-(5-methylpyrimidin-2-yl)ethanamine
CID 83182184
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 79783320
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223
1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
CID 79016126
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanamine
CID 105030098
1-(3,5-dichloro-2-pyridinyl)-2-propoxyethanamine
CID 79780789
2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105177749

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine (CID 83182559) is 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine is NC(Cc1ccoc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine?
The InChIKey is ITSUEKHAPRJNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-8-4-9(13)11(15-5-8)10(14)3-7-1-2-16-6-7/h1-2,4-6,10H,3,14H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine has a molecular weight of 257.12 g/mol, XLogP of 3.22, 3 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)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83182559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).