2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine

C14H17F2N3 — CID 82922938

IUPAC2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1cncn1C
InChIInChI=1S/C14H17F2N3/c1-3-18-13(14-8-17-9-19(14)2)7-10-4-5-11(15)12(16)6-10/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyDLXBCQPJEUDBKW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.59
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine

2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (PubChem CID 82922938) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
PubChem CID82922938
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(F)c1)c1cncn1C
InChIInChI=1S/C14H17F2N3/c1-3-18-13(14-8-17-9-19(14)2)7-10-4-5-11(15)12(16)6-10/h4-6,8-9,13,18H,3,7H2,1-2H3
InChIKeyDLXBCQPJEUDBKW-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
N-ethyl-2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82903762
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82902496
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
2-(3,4-difluorophenyl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine
CID 82922839
[2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264554
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethanamine
CID 82901884
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine (CID 82922938) is 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is CCNC(Cc1ccc(F)c(F)c1)c1cncn1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
The InChIKey is DLXBCQPJEUDBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-18-13(14-8-17-9-19(14)2)7-10-4-5-11(15)12(16)6-10/h4-6,8-9,13,18H,3,7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine?
2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 82922938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).