N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine

C16H23N3 — CID 62124555

IUPACN-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2ccnc2CC)c(C)c1
InChIInChI=1S/C16H23N3/c1-4-8-17-12-14-6-7-15(13(3)11-14)19-10-9-18-16(19)5-2/h6-7,9-11,17H,4-5,8,12H2,1-3H3
InChIKeyFUQGSSBKMMFRJU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.24
Rot. Bonds6

About N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine

N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine (PubChem CID 62124555) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
PubChem CID62124555
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-n2ccnc2CC)c(C)c1
InChIInChI=1S/C16H23N3/c1-4-8-17-12-14-6-7-15(13(3)11-14)19-10-9-18-16(19)5-2/h6-7,9-11,17H,4-5,8,12H2,1-3H3
InChIKeyFUQGSSBKMMFRJU-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80635627
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
1-[3-chloro-4-(2-ethylimidazol-1-yl)phenyl]-N-methylmethanamine
CID 81150062
N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071538
2-methyl-N-[[3-methyl-4-(2-methylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 55146656
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81145300
N-[[4-(4-chloropyrazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 55040510
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethylimidazole
CID 107085938
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[(4-imidazo[1,2-a]pyridin-5-yl-3-methylphenyl)methyl]propan-1-amine
CID 102626379
N-[[4-(3,5-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121174

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine (CID 62124555) is N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(-n2ccnc2CC)c(C)c1.
What is the InChIKey of N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine?
The InChIKey is FUQGSSBKMMFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-8-17-12-14-6-7-15(13(3)11-14)19-10-9-18-16(19)5-2/h6-7,9-11,17H,4-5,8,12H2,1-3H3.
What are the key properties of N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine?
N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 62124555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).