N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine

C16H23N3O — CID 79751835

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
SMILESCCNC(COc1ccccc1)Cc1nccn1CC
InChIInChI=1S/C16H23N3O/c1-3-17-14(12-16-18-10-11-19(16)4-2)13-20-15-8-6-5-7-9-15/h5-11,14,17H,3-4,12-13H2,1-2H3
InChIKeyIWQRHFYCYXDGTP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds8

About N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine (PubChem CID 79751835) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
PubChem CID79751835
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
SMILESCCNC(COc1ccccc1)Cc1nccn1CC
InChIInChI=1S/C16H23N3O/c1-3-17-14(12-16-18-10-11-19(16)4-2)13-20-15-8-6-5-7-9-15/h5-11,14,17H,3-4,12-13H2,1-2H3
InChIKeyIWQRHFYCYXDGTP-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
CID 79751315
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
[1-(1-ethylimidazol-2-yl)-2-phenoxyethyl]hydrazine
CID 105212900
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine (CID 79751835) is N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine is CCNC(COc1ccccc1)Cc1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine?
The InChIKey is IWQRHFYCYXDGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-14(12-16-18-10-11-19(16)4-2)13-20-15-8-6-5-7-9-15/h5-11,14,17H,3-4,12-13H2,1-2H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine is sourced from PubChem (CID 79751835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).