N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine

C16H23N3O2 — CID 60882672

IUPACN-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2nccn2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-5-17-12(2)13-6-7-14(15(10-13)20-4)21-11-16-18-8-9-19(16)3/h6-10,12,17H,5,11H2,1-4H3
InChIKeyDBASQWDCOUXKPB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.68
Rot. Bonds7

About N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine

N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 60882672) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID60882672
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2nccn2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-5-17-12(2)13-6-7-14(15(10-13)20-4)21-11-16-18-8-9-19(16)3/h6-10,12,17H,5,11H2,1-4H3
InChIKeyDBASQWDCOUXKPB-UHFFFAOYSA-N
XLogP2.68
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 43279469
[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60878682
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
(1S)-1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 78936245
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
N-ethyl-1-[3-[(1-methylimidazol-2-yl)methylsulfanyl]phenyl]ethanamine
CID 64664020
N-ethyl-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 60882299
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63015018
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine (CID 60882672) is N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(OCc2nccn2C)c(OC)c1.
What is the InChIKey of N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is DBASQWDCOUXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-17-12(2)13-6-7-14(15(10-13)20-4)21-11-16-18-8-9-19(16)3/h6-10,12,17H,5,11H2,1-4H3.
What are the key properties of N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine?
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60882672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).