N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine

C17H25N3O — CID 79751315

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
SMILESCCNC(CCOc1ccccc1)Cc1nccn1CC
InChIInChI=1S/C17H25N3O/c1-3-18-15(14-17-19-11-12-20(17)4-2)10-13-21-16-8-6-5-7-9-16/h5-9,11-12,15,18H,3-4,10,13-14H2,1-2H3
InChIKeyAMUAFQIADUDWCL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.89
Rot. Bonds9

About N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine

N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine (PubChem CID 79751315) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
PubChem CID79751315
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine
SMILESCCNC(CCOc1ccccc1)Cc1nccn1CC
InChIInChI=1S/C17H25N3O/c1-3-18-15(14-17-19-11-12-20(17)4-2)10-13-21-16-8-6-5-7-9-16/h5-9,11-12,15,18H,3-4,10,13-14H2,1-2H3
InChIKeyAMUAFQIADUDWCL-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-3-phenoxypropan-2-amine
CID 79751835
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105321937
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79825125
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79752901
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 79751897
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine (CID 79751315) is N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine is CCNC(CCOc1ccccc1)Cc1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine?
The InChIKey is AMUAFQIADUDWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-15(14-17-19-11-12-20(17)4-2)10-13-21-16-8-6-5-7-9-16/h5-9,11-12,15,18H,3-4,10,13-14H2,1-2H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine?
N-ethyl-1-(1-ethylimidazol-2-yl)-4-phenoxybutan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.89, 9 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)-4-phenoxybutan-2-amine is sourced from PubChem (CID 79751315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).