1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C14H18Cl2N4 — CID 79780317

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4/c1-3-5-20-6-4-18-13(20)8-12(17-2)14-11(16)7-10(15)9-19-14/h4,6-7,9,12,17H,3,5,8H2,1-2H3
InChIKeyRJKSNWNOJBSTRW-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.50
Rot. Bonds6

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79780317) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79780317
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4/c1-3-5-20-6-4-18-13(20)8-12(17-2)14-11(16)7-10(15)9-19-14/h4,6-7,9,12,17H,3,5,8H2,1-2H3
InChIKeyRJKSNWNOJBSTRW-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
N-[(3,5-dichloro-2-pyridinyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79780571
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105167615
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 79780317) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is RJKSNWNOJBSTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-3-5-20-6-4-18-13(20)8-12(17-2)14-11(16)7-10(15)9-19-14/h4,6-7,9,12,17H,3,5,8H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 313.23 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79780317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).