4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride

C14H20ClN3 — CID 19889718

IUPAC4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride
SMILESC=CCc1cccc(C(N)C2=NCCN2)c1C.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-5-11-6-4-7-12(10(11)2)13(15)14-16-8-9-17-14;/h3-4,6-7,13H,1,5,8-9,15H2,2H3,(H,16,17);1H
InChIKeyIPYZLAKYLYQGFU-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.15
Rot. Bonds4

About 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride

4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride (PubChem CID 19889718) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride
PubChem CID19889718
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride
SMILESC=CCc1cccc(C(N)C2=NCCN2)c1C.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-5-11-6-4-7-12(10(11)2)13(15)14-16-8-9-17-14;/h3-4,6-7,13H,1,5,8-9,15H2,2H3,(H,16,17);1H
InChIKeyIPYZLAKYLYQGFU-UHFFFAOYSA-N
XLogP2.15
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride (CID 19889718) is 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride is C=CCc1cccc(C(N)C2=NCCN2)c1C.Cl.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride?
The InChIKey is IPYZLAKYLYQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-3-5-11-6-4-7-12(10(11)2)13(15)14-16-8-9-17-14;/h3-4,6-7,13H,1,5,8-9,15H2,2H3,(H,16,17);1H.
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride?
4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-yl-(2-methyl-3-prop-2-enylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19889718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).