1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine

C16H23N3O — CID 115494639

IUPAC1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCCn1ccnc1COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C16H23N3O/c1-4-19-10-9-18-16(19)12-20-15-7-5-14(6-8-15)11-13(2)17-3/h5-10,13,17H,4,11-12H2,1-3H3
InChIKeyYOOFELXMKAWSCZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds7

About 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine

1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine (PubChem CID 115494639) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
PubChem CID115494639
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCCn1ccnc1COc1ccc(CC(C)NC)cc1
InChIInChI=1S/C16H23N3O/c1-4-19-10-9-18-16(19)12-20-15-7-5-14(6-8-15)11-13(2)17-3/h5-10,13,17H,4,11-12H2,1-3H3
InChIKeyYOOFELXMKAWSCZ-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
CID 115494840
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 78932314
4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 78990443
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
N-methyl-1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]propan-2-amine
CID 107041583
2-[(6-bromonaphthalen-2-yl)oxymethyl]-1-ethylimidazole
CID 62736409
[5-[(1-ethylimidazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79799356
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine (CID 115494639) is 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine is CCn1ccnc1COc1ccc(CC(C)NC)cc1.
What is the InChIKey of 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine?
The InChIKey is YOOFELXMKAWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-19-10-9-18-16(19)12-20-15-7-5-14(6-8-15)11-13(2)17-3/h5-10,13,17H,4,11-12H2,1-3H3.
What are the key properties of 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine?
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 115494639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).