1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine

C14H19N3O — CID 106721144

IUPAC1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCOc2ccccc2)cn1
InChIInChI=1S/C14H19N3O/c1-12(15)9-13-10-17(11-16-13)7-8-18-14-5-3-2-4-6-14/h2-6,10-12H,7-9,15H2,1H3
InChIKeyOLOUWMTVOCDNNR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.85
Rot. Bonds6

About 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine

1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine (PubChem CID 106721144) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
PubChem CID106721144
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCOc2ccccc2)cn1
InChIInChI=1S/C14H19N3O/c1-12(15)9-13-10-17(11-16-13)7-8-18-14-5-3-2-4-6-14/h2-6,10-12H,7-9,15H2,1H3
InChIKeyOLOUWMTVOCDNNR-UHFFFAOYSA-N
XLogP1.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
4-(chloromethyl)-1-(3-phenoxypropyl)imidazole
CID 106720865
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-phenoxypropyl)propanamide
CID 119694927
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine (CID 106721144) is 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CCOc2ccccc2)cn1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is OLOUWMTVOCDNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(15)9-13-10-17(11-16-13)7-8-18-14-5-3-2-4-6-14/h2-6,10-12H,7-9,15H2,1H3.
What are the key properties of 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine?
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).