1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

C16H22FN3 — CID 79751378

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C16H22FN3/c1-4-8-20-9-7-19-16(20)11-15(18-3)13-5-6-14(17)12(2)10-13/h5-7,9-10,15,18H,4,8,11H2,1-3H3
InChIKeyGCFYOQXNEQCHRT-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.24
Rot. Bonds6

About 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine

1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79751378) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79751378
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C16H22FN3/c1-4-8-20-9-7-19-16(20)11-15(18-3)13-5-6-14(17)12(2)10-13/h5-7,9-10,15,18H,4,8,11H2,1-3H3
InChIKeyGCFYOQXNEQCHRT-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 79752632
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012440
1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
CID 105167752
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(2,5-difluorophenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751341
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
N-methyl-1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752583
1-(4-bromo-3-methylphenyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011510
[1-(2,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105216699

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine (CID 79751378) is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NC)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is GCFYOQXNEQCHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-8-20-9-7-19-16(20)11-15(18-3)13-5-6-14(17)12(2)10-13/h5-7,9-10,15,18H,4,8,11H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79751378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).