N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine

C17H25N3O — CID 79751880

IUPACN-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(COc1ccccc1)NCC
InChIInChI=1S/C17H25N3O/c1-3-11-20-12-10-19-17(20)13-15(18-4-2)14-21-16-8-6-5-7-9-16/h5-10,12,15,18H,3-4,11,13-14H2,1-2H3
InChIKeyUNOANBXHCJFGPF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.89
Rot. Bonds9

About N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine

N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine (PubChem CID 79751880) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
PubChem CID79751880
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
SMILESCCCn1ccnc1CC(COc1ccccc1)NCC
InChIInChI=1S/C17H25N3O/c1-3-11-20-12-10-19-17(20)13-15(18-4-2)14-21-16-8-6-5-7-9-16/h5-10,12,15,18H,3-4,11,13-14H2,1-2H3
InChIKeyUNOANBXHCJFGPF-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-phenoxybutan-2-amine
CID 79751315
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
1-(3-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751530
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
1-(4-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752002
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine (CID 79751880) is N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine is CCCn1ccnc1CC(COc1ccccc1)NCC.
What is the InChIKey of N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
The InChIKey is UNOANBXHCJFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-20-12-10-19-17(20)13-15(18-4-2)14-21-16-8-6-5-7-9-16/h5-10,12,15,18H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine?
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-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-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79751880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).