N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine

C14H19N3 — CID 66116948

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCCn1cncc1CNCc1ccc(C)cc1
InChIInChI=1S/C14H19N3/c1-3-17-11-16-10-14(17)9-15-8-13-6-4-12(2)5-7-13/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyZNILMWOWUDFJIZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 66116948) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID66116948
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
SMILESCCn1cncc1CNCc1ccc(C)cc1
InChIInChI=1S/C14H19N3/c1-3-17-11-16-10-14(17)9-15-8-13-6-4-12(2)5-7-13/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyZNILMWOWUDFJIZ-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-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
N-[(3-ethylimidazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 66116744
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
1-(3-ethylimidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 66134239
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine (CID 66116948) is N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine is CCn1cncc1CNCc1ccc(C)cc1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is ZNILMWOWUDFJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-11-16-10-14(17)9-15-8-13-6-4-12(2)5-7-13/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-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-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 66116948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).