2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine

C15H21N3O2 — CID 61493842

IUPAC2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(OCCn2ccnc2C)c(CCN)c1
InChIInChI=1S/C15H21N3O2/c1-12-17-7-8-18(12)9-10-20-15-4-3-14(19-2)11-13(15)5-6-16/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyHNRFVFUZYZRHPI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.78
Rot. Bonds7

About 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine

2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 61493842) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
PubChem CID61493842
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(OCCn2ccnc2C)c(CCN)c1
InChIInChI=1S/C15H21N3O2/c1-12-17-7-8-18(12)9-10-20-15-4-3-14(19-2)11-13(15)5-6-16/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyHNRFVFUZYZRHPI-UHFFFAOYSA-N
XLogP1.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493364
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 82001790
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61493141
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
CID 61490558
N-[[5-bromo-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 61493104

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (CID 61493842) is 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is COc1ccc(OCCn2ccnc2C)c(CCN)c1.
What is the InChIKey of 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is HNRFVFUZYZRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-17-7-8-18(12)9-10-20-15-4-3-14(19-2)11-13(15)5-6-16/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 61493842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).