1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine

C15H20FN3 — CID 106570580

IUPAC1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccc(F)c(C)c1
InChIInChI=1S/C15H20FN3/c1-4-5-8-19-10-12(3)17-15(19)18-13-6-7-14(16)11(2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyCECLDEVWVJPQJL-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.18
Rot. Bonds5

About 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine

1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106570580) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106570580
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1ccc(F)c(C)c1
InChIInChI=1S/C15H20FN3/c1-4-5-8-19-10-12(3)17-15(19)18-13-6-7-14(16)11(2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyCECLDEVWVJPQJL-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(4-methoxy-3-methylphenyl)-4-methylimidazol-2-amine
CID 106564087
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
N-(3-bromo-4-fluorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106581586
N-(4-butylphenyl)-4-methyl-1-propylimidazol-2-amine
CID 106561499
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570963

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine (CID 106570580) is 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine is CCCCn1cc(C)nc1Nc1ccc(F)c(C)c1.
What is the InChIKey of 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is CECLDEVWVJPQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-5-8-19-10-12(3)17-15(19)18-13-6-7-14(16)11(2)9-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine?
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106570580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).