1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine

C17H23N3O — CID 66152900

IUPAC1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1OCc1cncn1C1CC1
InChIInChI=1S/C17H23N3O/c1-3-19-13(2)16-6-4-5-7-17(16)21-11-15-10-18-12-20(15)14-8-9-14/h4-7,10,12-14,19H,3,8-9,11H2,1-2H3
InChIKeyGPCDVPKLENUPRJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine

1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine (PubChem CID 66152900) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
PubChem CID66152900
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1OCc1cncn1C1CC1
InChIInChI=1S/C17H23N3O/c1-3-19-13(2)16-6-4-5-7-17(16)21-11-15-10-18-12-20(15)14-8-9-14/h4-7,10,12-14,19H,3,8-9,11H2,1-2H3
InChIKeyGPCDVPKLENUPRJ-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66154635
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948213
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine (CID 66152900) is 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1OCc1cncn1C1CC1.
What is the InChIKey of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine?
The InChIKey is GPCDVPKLENUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-19-13(2)16-6-4-5-7-17(16)21-11-15-10-18-12-20(15)14-8-9-14/h4-7,10,12-14,19H,3,8-9,11H2,1-2H3.
What are the key properties of 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine?
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine is sourced from PubChem (CID 66152900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).