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

C14H19N3 — CID 3152372

IUPAC3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCn2ccnc2)cc1
InChIInChI=1S/C14H19N3/c1-13-3-5-14(6-4-13)11-15-7-2-9-17-10-8-16-12-17/h3-6,8,10,12,15H,2,7,9,11H2,1H3
InChIKeyMFYSUMVTHDCUFZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds6

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

3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine (PubChem CID 3152372) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine
PubChem CID3152372
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCn2ccnc2)cc1
InChIInChI=1S/C14H19N3/c1-13-3-5-14(6-4-13)11-15-7-2-9-17-10-8-16-12-17/h3-6,8,10,12,15H,2,7,9,11H2,1H3
InChIKeyMFYSUMVTHDCUFZ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine (CID 3152372) is 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine is Cc1ccc(CNCCCn2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine?
The InChIKey is MFYSUMVTHDCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-13-3-5-14(6-4-13)11-15-7-2-9-17-10-8-16-12-17/h3-6,8,10,12,15H,2,7,9,11H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 3152372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).