4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine

C14H21N3O — CID 90712571

IUPAC4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine
SMILESNCCCCC1=NCCN1OCc1ccccc1
InChIInChI=1S/C14H21N3O/c15-9-5-4-8-14-16-10-11-17(14)18-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2
InChIKeyBQKLNPYVHKKHLJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds7

About 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine

4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine (PubChem CID 90712571) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine
PubChem CID90712571
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine
SMILESNCCCCC1=NCCN1OCc1ccccc1
InChIInChI=1S/C14H21N3O/c15-9-5-4-8-14-16-10-11-17(14)18-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2
InChIKeyBQKLNPYVHKKHLJ-UHFFFAOYSA-N
XLogP1.96
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pentyl-(1-phenethyloxy-4,5-dihydro-1H-imidazol-2-yl)-amine
CID 9860374
(1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-pentyl-amine
CID 10038305
1-phenylmethoxy-N-propyl-4,5-dihydroimidazol-2-amine
CID 44336951
N-butyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44336952
N-hexyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44336953
1-[(4-methylphenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336963
1-[(4-fluorophenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44336971
1-[(3-methylphenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44337176
N-cyclopropyl-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44337183
1-[(3-fluorophenyl)methoxy]-N-pentyl-4,5-dihydroimidazol-2-amine
CID 44337192
1-phenylmethoxy-N-(3-phenylpropyl)-4,5-dihydroimidazol-2-amine
CID 44337234
N-(4-phenylbutyl)-1-phenylmethoxy-4,5-dihydroimidazol-2-amine
CID 44337352

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine?
The IUPAC name of 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine (CID 90712571) is 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine?
The canonical SMILES for 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine is NCCCCC1=NCCN1OCc1ccccc1.
What is the InChIKey of 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine?
The InChIKey is BQKLNPYVHKKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-9-5-4-8-14-16-10-11-17(14)18-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,15H2.
What are the key properties of 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine?
4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylmethoxy-4,5-dihydroimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 90712571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).