N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine

C17H24FN3 — CID 114349347

IUPACN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1Cn1c(CNCC(C)C)cnc1C
InChIInChI=1S/C17H24FN3/c1-12(2)8-19-9-17-10-20-14(4)21(17)11-15-5-6-16(18)7-13(15)3/h5-7,10,12,19H,8-9,11H2,1-4H3
InChIKeyBKGFVNRLBBQDQF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds6

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

N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114349347) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID114349347
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1Cn1c(CNCC(C)C)cnc1C
InChIInChI=1S/C17H24FN3/c1-12(2)8-19-9-17-10-20-14(4)21(17)11-15-5-6-16(18)7-13(15)3/h5-7,10,12,19H,8-9,11H2,1-4H3
InChIKeyBKGFVNRLBBQDQF-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65172235
N-[[3-[(2-bromo-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172669
N-[[3-[(2-chloro-4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172412
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114349033
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
N-[[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65171777
2-methyl-N-[[2-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 116627167
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
2-methyl-N-[[2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 112591974
N-[[3-(4-methoxybutyl)-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104649983
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114859912

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 114349347) is N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1cc(F)ccc1Cn1c(CNCC(C)C)cnc1C.
What is the InChIKey of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BKGFVNRLBBQDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-12(2)8-19-9-17-10-20-14(4)21(17)11-15-5-6-16(18)7-13(15)3/h5-7,10,12,19H,8-9,11H2,1-4H3.
What are the key properties of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114349347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).