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

C14H19N3 — CID 79985488

IUPACN-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ccc(C)cc2)cn1
InChIInChI=1S/C14H19N3/c1-12-3-5-13(6-4-12)9-17-10-14(16-11-17)7-8-15-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyMXHXKAZGJGDVKX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.00
Rot. Bonds5

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

N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79985488) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID79985488
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ccc(C)cc2)cn1
InChIInChI=1S/C14H19N3/c1-12-3-5-13(6-4-12)9-17-10-14(16-11-17)7-8-15-2/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyMXHXKAZGJGDVKX-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine (CID 79985488) is N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine is CNCCc1cn(Cc2ccc(C)cc2)cn1.
What is the InChIKey of N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is MXHXKAZGJGDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-3-5-13(6-4-12)9-17-10-14(16-11-17)7-8-15-2/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine?
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79985488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).