3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine

C17H25N3O — CID 114704021

IUPAC3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-12(2)9-16(18)17-10-19-11-20(17)14-5-7-15(8-6-14)21-13(3)4/h5-8,10-13,16H,9,18H2,1-4H3
InChIKeyCCRKOTSQBDKZBG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.71
Rot. Bonds6

About 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine (PubChem CID 114704021) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
PubChem CID114704021
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-12(2)9-16(18)17-10-19-11-20(17)14-5-7-15(8-6-14)21-13(3)4/h5-8,10-13,16H,9,18H2,1-4H3
InChIKeyCCRKOTSQBDKZBG-UHFFFAOYSA-N
XLogP3.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
CID 114706948
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
2-[4-(5-propan-2-ylimidazol-1-yl)phenoxy]ethanamine
CID 96687258
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine (CID 114704021) is 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine?
The InChIKey is CCRKOTSQBDKZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)9-16(18)17-10-19-11-20(17)14-5-7-15(8-6-14)21-13(3)4/h5-8,10-13,16H,9,18H2,1-4H3.
What are the key properties of 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114704021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).