1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C16H21F2N3 — CID 114530197

IUPAC1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-3-8-19-15(6-7-16-20-9-10-21(16)2)13-11-12(17)4-5-14(13)18/h4-5,9-11,15,19H,3,6-8H2,1-2H3
InChIKeyTXHUWKILSMMGEF-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds7

About 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 114530197) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID114530197
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-3-8-19-15(6-7-16-20-9-10-21(16)2)13-11-12(17)4-5-14(13)18/h4-5,9-11,15,19H,3,6-8H2,1-2H3
InChIKeyTXHUWKILSMMGEF-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103010217
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 105011526
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
N-ethyl-1-(5-fluoro-2-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530517

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 114530197) is 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is TXHUWKILSMMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-3-8-19-15(6-7-16-20-9-10-21(16)2)13-11-12(17)4-5-14(13)18/h4-5,9-11,15,19H,3,6-8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114530197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).