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

C13H17N3 — CID 82558989

IUPACN-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
SMILESCNCCn1ccnc1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3/c1-11-3-5-12(6-4-11)13-15-8-10-16(13)9-7-14-2/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyAPHLQPLUMLWRHC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.08
Rot. Bonds4

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

N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine (PubChem CID 82558989) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
PubChem CID82558989
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
SMILESCNCCn1ccnc1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3/c1-11-3-5-12(6-4-11)13-15-8-10-16(13)9-7-14-2/h3-6,8,10,14H,7,9H2,1-2H3
InChIKeyAPHLQPLUMLWRHC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
CID 82559225
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 82559619
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
CID 165425245

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine (CID 82558989) is N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine is CNCCn1ccnc1-c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine?
The InChIKey is APHLQPLUMLWRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-5-12(6-4-11)13-15-8-10-16(13)9-7-14-2/h3-6,8,10,14H,7,9H2,1-2H3.
What are the key properties of N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine?
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 82558989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).