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

C16H23N3 — CID 79738438

IUPACN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cc2nccn2CC)cc1
InChIInChI=1S/C16H23N3/c1-3-9-17-13-15-7-5-14(6-8-15)12-16-18-10-11-19(16)4-2/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3
InChIKeyUMPSQZISMHQVTE-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds7

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

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 79738438) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID79738438
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cc2nccn2CC)cc1
InChIInChI=1S/C16H23N3/c1-3-9-17-13-15-7-5-14(6-8-15)12-16-18-10-11-19(16)4-2/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3
InChIKeyUMPSQZISMHQVTE-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[[3-[(1-ethylimidazol-2-yl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66347289
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
1-[3-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738227
N-[1-[2-chloro-4-[(1-ethylimidazol-2-yl)methyl]phenyl]ethyl]propan-1-amine
CID 82772155
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
N-[[5-chloro-2-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79739256
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine (CID 79738438) is N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(Cc2nccn2CC)cc1.
What is the InChIKey of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is UMPSQZISMHQVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-9-17-13-15-7-5-14(6-8-15)12-16-18-10-11-19(16)4-2/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3.
What are the key properties of N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine?
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).