4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

C13H17N3 — CID 61493258

IUPAC4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCc1ccc(NCCn2ccnc2C)cc1
InChIInChI=1S/C13H17N3/c1-11-3-5-13(6-4-11)15-8-10-16-9-7-14-12(16)2/h3-7,9,15H,8,10H2,1-2H3
InChIKeyDGAQKRBDWDBRJE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds4

About 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (PubChem CID 61493258) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
PubChem CID61493258
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCc1ccc(NCCn2ccnc2C)cc1
InChIInChI=1S/C13H17N3/c1-11-3-5-13(6-4-11)15-8-10-16-9-7-14-12(16)2/h3-7,9,15H,8,10H2,1-2H3
InChIKeyDGAQKRBDWDBRJE-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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Related Compounds

N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
4-[2-(2-methylimidazol-1-yl)ethylamino]benzonitrile
CID 54961145
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844
4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine
CID 63180049
4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54964565
3-fluoro-4-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54960944
3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61492962
2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 114254602
4-(difluoromethoxy)-N-[3-(2-methylimidazol-1-yl)propyl]aniline
CID 75397043
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
3-chloro-2-fluoro-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54961505
1-[2-(4-methylanilino)ethyl]-3-propylimidazol-2-one
CID 80582385

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (CID 61493258) is 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is Cc1ccc(NCCn2ccnc2C)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The InChIKey is DGAQKRBDWDBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-5-13(6-4-11)15-8-10-16-9-7-14-12(16)2/h3-7,9,15H,8,10H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
4-methyl-N-[2-(2-methylimidazol-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 4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 61493258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).