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

C15H20FN3 — CID 107446960

IUPACN-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-n2cncc2CNC(C)(C)C)c(F)c1
InChIInChI=1S/C15H20FN3/c1-11-5-6-14(13(16)7-11)19-10-17-8-12(19)9-18-15(2,3)4/h5-8,10,18H,9H2,1-4H3
InChIKeyCXLDKNFFLIYVSM-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.21
Rot. Bonds3

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

N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107446960) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107446960
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-n2cncc2CNC(C)(C)C)c(F)c1
InChIInChI=1S/C15H20FN3/c1-11-5-6-14(13(16)7-11)19-10-17-8-12(19)9-18-15(2,3)4/h5-8,10,18H,9H2,1-4H3
InChIKeyCXLDKNFFLIYVSM-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447022
2-methyl-N-[[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447025
N-[[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107608528
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447060
(1S)-1-[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 104942142
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107446913
N-[[4-(4,5-dimethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072683
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
2-methyl-N-[[5-methyl-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141510

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107446960) is N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(-n2cncc2CNC(C)(C)C)c(F)c1.
What is the InChIKey of N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CXLDKNFFLIYVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11-5-6-14(13(16)7-11)19-10-17-8-12(19)9-18-15(2,3)4/h5-8,10,18H,9H2,1-4H3.
What are the key properties of N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).