1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine

C13H17N3 — CID 114703383

IUPAC1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(-n2cncc2C(C)N)cc1C
InChIInChI=1S/C13H17N3/c1-9-4-5-12(6-10(9)2)16-8-15-7-13(16)11(3)14/h4-8,11H,14H2,1-3H3
InChIKeyBLDYFWSICXHHPN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.51
Rot. Bonds2

About 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine

1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine (PubChem CID 114703383) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
PubChem CID114703383
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
SMILESCc1ccc(-n2cncc2C(C)N)cc1C
InChIInChI=1S/C13H17N3/c1-9-4-5-12(6-10(9)2)16-8-15-7-13(16)11(3)14/h4-8,11H,14H2,1-3H3
InChIKeyBLDYFWSICXHHPN-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine (CID 114703383) is 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine is Cc1ccc(-n2cncc2C(C)N)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine?
The InChIKey is BLDYFWSICXHHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-5-12(6-10(9)2)16-8-15-7-13(16)11(3)14/h4-8,11H,14H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine?
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114703383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).