1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C15H20FN3 — CID 106560953

IUPAC1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(Cc2cccc(F)c2)c(NCC(C)C)n1
InChIInChI=1S/C15H20FN3/c1-11(2)8-17-15-18-12(3)9-19(15)10-13-5-4-6-14(16)7-13/h4-7,9,11H,8,10H2,1-3H3,(H,17,18)
InChIKeyJROLRCADCAEIDD-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.45
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106560953) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106560953
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(Cc2cccc(F)c2)c(NCC(C)C)n1
InChIInChI=1S/C15H20FN3/c1-11(2)8-17-15-18-12(3)9-19(15)10-13-5-4-6-14(16)7-13/h4-7,9,11H,8,10H2,1-3H3,(H,17,18)
InChIKeyJROLRCADCAEIDD-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106570211
1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106562547
1-cyclopropyl-N-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106562530
N-[(3-methoxyphenyl)methyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106563494
4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106576362
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560930
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567700
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106560953) is 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(Cc2cccc(F)c2)c(NCC(C)C)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is JROLRCADCAEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)8-17-15-18-12(3)9-19(15)10-13-5-4-6-14(16)7-13/h4-7,9,11H,8,10H2,1-3H3,(H,17,18).
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106560953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).