N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine

C17H25N3 — CID 105406336

IUPACN-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-n2ccnc2CCC)c1
InChIInChI=1S/C17H25N3/c1-4-6-17-19-10-11-20(17)16-12-15(8-7-14(16)3)13-18-9-5-2/h7-8,10-12,18H,4-6,9,13H2,1-3H3
InChIKeyWINAUWPNJYHTDQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.63
Rot. Bonds7

About N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine

N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 105406336) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
PubChem CID105406336
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-n2ccnc2CCC)c1
InChIInChI=1S/C17H25N3/c1-4-6-17-19-10-11-20(17)16-12-15(8-7-14(16)3)13-18-9-5-2/h7-8,10-12,18H,4-6,9,13H2,1-3H3
InChIKeyWINAUWPNJYHTDQ-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.63
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-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81145300
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406297
N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80635627
N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451540
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylimidazole
CID 107086160
N-[[3-fluoro-5-(2-propylimidazol-1-yl)phenyl]methyl]ethanamine
CID 106533182
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine (CID 105406336) is N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-n2ccnc2CCC)c1.
What is the InChIKey of N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is WINAUWPNJYHTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-6-17-19-10-11-20(17)16-12-15(8-7-14(16)3)13-18-9-5-2/h7-8,10-12,18H,4-6,9,13H2,1-3H3.
What are the key properties of N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine?
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 105406336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).