N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine

C14H19N3 — CID 62357739

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCn1ccnc1CNCc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-17-8-7-16-14(17)11-15-10-13-6-4-5-12(2)9-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyUWANXRBGMJWZPM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 62357739) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID62357739
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
SMILESCCn1ccnc1CNCc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-17-8-7-16-14(17)11-15-10-13-6-4-5-12(2)9-13/h4-9,15H,3,10-11H2,1-2H3
InChIKeyUWANXRBGMJWZPM-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
1-cyclopenta-1,4-dien-1-yl-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 91928165
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
N-[[3-[(1-ethylimidazol-2-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66347289
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834150
N-ethyl-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563268
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine (CID 62357739) is N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine is CCn1ccnc1CNCc1cccc(C)c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is UWANXRBGMJWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-8-7-16-14(17)11-15-10-13-6-4-5-12(2)9-13/h4-9,15H,3,10-11H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 62357739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).