2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine

C13H17N3 — CID 79983345

IUPAC2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1cccc(Cn2cnc(CCN)c2)c1
InChIInChI=1S/C13H17N3/c1-11-3-2-4-12(7-11)8-16-9-13(5-6-14)15-10-16/h2-4,7,9-10H,5-6,8,14H2,1H3
InChIKeyUHGPFUVFPISCFW-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.74
Rot. Bonds4

About 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine

2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79983345) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
PubChem CID79983345
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1cccc(Cn2cnc(CCN)c2)c1
InChIInChI=1S/C13H17N3/c1-11-3-2-4-12(7-11)8-16-9-13(5-6-14)15-10-16/h2-4,7,9-10H,5-6,8,14H2,1H3
InChIKeyUHGPFUVFPISCFW-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine (CID 79983345) is 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine is Cc1cccc(Cn2cnc(CCN)c2)c1.
What is the InChIKey of 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is UHGPFUVFPISCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-2-4-12(7-11)8-16-9-13(5-6-14)15-10-16/h2-4,7,9-10H,5-6,8,14H2,1H3.
What are the key properties of 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79983345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).