1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine

C13H17ClN4 — CID 105167678

IUPAC1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccncc1Cl
InChIInChI=1S/C13H17ClN4/c1-2-6-18-7-5-17-13(18)8-12(15)10-3-4-16-9-11(10)14/h3-5,7,9,12H,2,6,8,15H2,1H3
InChIKeyGYQGHFRCTXQOGR-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.58
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105167678) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105167678
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1ccncc1Cl
InChIInChI=1S/C13H17ClN4/c1-2-6-18-7-5-17-13(18)8-12(15)10-3-4-16-9-11(10)14/h3-5,7,9,12H,2,6,8,15H2,1H3
InChIKeyGYQGHFRCTXQOGR-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(5-chloro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012407
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159465
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105167678) is 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is GYQGHFRCTXQOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-6-18-7-5-17-13(18)8-12(15)10-3-4-16-9-11(10)14/h3-5,7,9,12H,2,6,8,15H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 264.76 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105167678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).