N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine

C14H19N3 — CID 63000421

IUPACN-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
SMILESCn1cncc1CNCCCc1ccccc1
InChIInChI=1S/C14H19N3/c1-17-12-16-11-14(17)10-15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11-12,15H,5,8-10H2,1H3
InChIKeyRRYSSNZIKFYRDL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.14
Rot. Bonds6

About N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine

N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine (PubChem CID 63000421) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
PubChem CID63000421
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine
SMILESCn1cncc1CNCCCc1ccccc1
InChIInChI=1S/C14H19N3/c1-17-12-16-11-14(17)10-15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11-12,15H,5,8-10H2,1H3
InChIKeyRRYSSNZIKFYRDL-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-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-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
CID 115628974
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
(2R)-2-[(3-methylimidazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 104922833
N-(iodomethyl)-3-(3-methylimidazol-4-yl)propan-1-amine
CID 142002736
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
3-phenyl-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66411689
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine (CID 63000421) is N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine is Cn1cncc1CNCCCc1ccccc1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine?
The InChIKey is RRYSSNZIKFYRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-12-16-11-14(17)10-15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11-12,15H,5,8-10H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine?
N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 63000421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).