2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine

C14H19N3 — CID 82288540

IUPAC2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1ccc(Cn2cc(CCN)nc2C)cc1
InChIInChI=1S/C14H19N3/c1-11-3-5-13(6-4-11)9-17-10-14(7-8-15)16-12(17)2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyNFKQINPNAKZVGK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.05
Rot. Bonds4

About 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine

2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 82288540) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID82288540
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1ccc(Cn2cc(CCN)nc2C)cc1
InChIInChI=1S/C14H19N3/c1-11-3-5-13(6-4-11)9-17-10-14(7-8-15)16-12(17)2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyNFKQINPNAKZVGK-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine (CID 82288540) is 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine is Cc1ccc(Cn2cc(CCN)nc2C)cc1.
What is the InChIKey of 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is NFKQINPNAKZVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-5-13(6-4-11)9-17-10-14(7-8-15)16-12(17)2/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 82288540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).