2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

C16H22FN3 — CID 114708364

IUPAC2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H22FN3/c1-11-6-7-13(8-14(11)17)12(2)20-10-19-9-15(20)16(3,4)18-5/h6-10,12,18H,1-5H3
InChIKeySSNPKDPXZOEAEX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.39
Rot. Bonds4

About 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708364) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708364
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H22FN3/c1-11-6-7-13(8-14(11)17)12(2)20-10-19-9-15(20)16(3,4)18-5/h6-10,12,18H,1-5H3
InChIKeySSNPKDPXZOEAEX-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708183
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706687
N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
CID 114708037
N-methyl-2-[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]propan-2-amine
CID 114708459
N-methyl-2-(3-pent-4-yn-2-ylimidazol-4-yl)propan-2-amine
CID 114708442
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708364) is 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1C(C)c1ccc(C)c(F)c1.
What is the InChIKey of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is SSNPKDPXZOEAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11-6-7-13(8-14(11)17)12(2)20-10-19-9-15(20)16(3,4)18-5/h6-10,12,18H,1-5H3.
What are the key properties of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).