N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine

C15H19F2N3 — CID 107974113

IUPACN-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)c1cn(C)cn1
InChIInChI=1S/C15H19F2N3/c1-3-6-18-14(15-9-20(2)10-19-15)7-11-4-5-12(16)8-13(11)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyIVIULGHOLOKOCA-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.98
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine

N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine (PubChem CID 107974113) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
PubChem CID107974113
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1F)c1cn(C)cn1
InChIInChI=1S/C15H19F2N3/c1-3-6-18-14(15-9-20(2)10-19-15)7-11-4-5-12(16)8-13(11)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyIVIULGHOLOKOCA-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974369
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
N-[2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360793
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107976708
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65197614

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine (CID 107974113) is N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1F)c1cn(C)cn1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
The InChIKey is IVIULGHOLOKOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-6-18-14(15-9-20(2)10-19-15)7-11-4-5-12(16)8-13(11)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine?
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine has a molecular weight of 279.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).