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

C15H21N3O2 — CID 61493364

IUPAC2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCn1ccnc1C
InChIInChI=1S/C15H21N3O2/c1-12-17-7-8-18(12)9-10-20-15-11-13(5-6-16)3-4-14(15)19-2/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyNWAGHLKYBWIZTA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.78
Rot. Bonds7

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

2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 61493364) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
PubChem CID61493364
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCN)cc1OCCn1ccnc1C
InChIInChI=1S/C15H21N3O2/c1-12-17-7-8-18(12)9-10-20-15-11-13(5-6-16)3-4-14(15)19-2/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyNWAGHLKYBWIZTA-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-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
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-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
[3-bromo-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methanol
CID 63051116
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine (CID 61493364) is 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is COc1ccc(CCN)cc1OCCn1ccnc1C.
What is the InChIKey of 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is NWAGHLKYBWIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-17-7-8-18(12)9-10-20-15-11-13(5-6-16)3-4-14(15)19-2/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine?
2-[4-methoxy-3-[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-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 61493364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).