N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine

C13H17N3 — CID 115029281

IUPACN-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine
SMILESCNCCc1cccc(-c2cncn2C)c1
InChIInChI=1S/C13H17N3/c1-14-7-6-11-4-3-5-12(8-11)13-9-15-10-16(13)2/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyGPHYBOJOJFBARG-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine

N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine (PubChem CID 115029281) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine
PubChem CID115029281
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine
SMILESCNCCc1cccc(-c2cncn2C)c1
InChIInChI=1S/C13H17N3/c1-14-7-6-11-4-3-5-12(8-11)13-9-15-10-16(13)2/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyGPHYBOJOJFBARG-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine (CID 115029281) is N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine is CNCCc1cccc(-c2cncn2C)c1.
What is the InChIKey of N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine?
The InChIKey is GPHYBOJOJFBARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-7-6-11-4-3-5-12(8-11)13-9-15-10-16(13)2/h3-5,8-10,14H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine?
N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(3-methylimidazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 115029281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).