N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine

C13H17N3 — CID 106563268

IUPACN-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCCNc1nccn1Cc1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-3-14-13-15-7-8-16(13)10-12-6-4-5-11(2)9-12/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyLRPXODUFRCKZKF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine

N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106563268) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
PubChem CID106563268
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCCNc1nccn1Cc1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-3-14-13-15-7-8-16(13)10-12-6-4-5-11(2)9-12/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyLRPXODUFRCKZKF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
CID 106569430
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
N,4-dimethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563226
N-ethyl-1-(pyridin-2-ylmethyl)imidazol-2-amine
CID 106559547
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylimidazole
CID 113353800
N-[[2-methyl-1-[(3-methylphenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 114196023
2-[1-[(3-methylphenyl)methyl]imidazol-2-yl]sulfanylethanol
CID 94689526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine (CID 106563268) is N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine is CCNc1nccn1Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is LRPXODUFRCKZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-14-13-15-7-8-16(13)10-12-6-4-5-11(2)9-12/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine?
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).