N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline

C13H17N3 — CID 62565856

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
SMILESCc1ncn(CCNc2ccccc2)c1C
InChIInChI=1S/C13H17N3/c1-11-12(2)16(10-15-11)9-8-14-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyUMUKARSJPPNNGR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline (PubChem CID 62565856) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
PubChem CID62565856
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
SMILESCc1ncn(CCNc2ccccc2)c1C
InChIInChI=1S/C13H17N3/c1-11-12(2)16(10-15-11)9-8-14-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3
InChIKeyUMUKARSJPPNNGR-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline (CID 62565856) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline is Cc1ncn(CCNc2ccccc2)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline?
The InChIKey is UMUKARSJPPNNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-12(2)16(10-15-11)9-8-14-13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62565856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).