1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

C9H12Cl2N2 — CID 79780970

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-3-12-6(2)9-8(11)4-7(10)5-13-9/h4-6,12H,3H2,1-2H3
InChIKeyCZYIXUVFRSVOLH-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.06
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine

1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (PubChem CID 79780970) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
PubChem CID79780970
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-3-12-6(2)9-8(11)4-7(10)5-13-9/h4-6,12H,3H2,1-2H3
InChIKeyCZYIXUVFRSVOLH-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79780406
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 79780243
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 79781134
N-[(3,5-dichloro-2-pyridinyl)-pyridin-3-ylmethyl]ethanamine
CID 79780969
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 55162001
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182758
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
CID 83161489
1-(3,5-dichloro-2-pyridinyl)-2-methylpropan-1-ol
CID 79780293
[1-(3,5-dichloro-2-pyridinyl)-2-ethylbutyl]hydrazine
CID 105248573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine (CID 79780970) is 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is CCNC(C)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
The InChIKey is CZYIXUVFRSVOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-3-12-6(2)9-8(11)4-7(10)5-13-9/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine?
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine has a molecular weight of 219.11 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 79780970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).