[1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine

C14H19N3 — CID 82288541

IUPAC[1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine
SMILESCCc1ccc(Cn2cc(CN)nc2C)cc1
InChIInChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)9-17-10-14(8-15)16-11(17)2/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyKVCVTJPGWJRLAU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.26
Rot. Bonds4

About [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine

[1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine (PubChem CID 82288541) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine
PubChem CID82288541
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine
SMILESCCc1ccc(Cn2cc(CN)nc2C)cc1
InChIInChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)9-17-10-14(8-15)16-11(17)2/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyKVCVTJPGWJRLAU-UHFFFAOYSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-ethyl-2-methylimidazole
CID 156528930
2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 82288540
[2-methyl-1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 82284713
alumane;1,4-diethylbenzene
CID 174296012
2-[1-[(2-chloro-6-fluorophenyl)methyl]-2-methylimidazol-4-yl]ethanamine
CID 82304935
1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole
CID 58460171
1,4-diethylbenzene;ethane;methane
CID 166131756
[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286824
(1-benzyl-4-methylimidazol-2-yl)methanamine
CID 130214981
2-[1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazol-4-yl]acetic acid
CID 82306770
ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
CID 176952887
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine (CID 82288541) is [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine is CCc1ccc(Cn2cc(CN)nc2C)cc1.
What is the InChIKey of [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine?
The InChIKey is KVCVTJPGWJRLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-12-4-6-13(7-5-12)9-17-10-14(8-15)16-11(17)2/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine?
[1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylphenyl)methyl]-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 82288541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).