1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

C15H21N3O — CID 62440640

IUPAC1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCn2cnc(C)c2C)c1
InChIInChI=1S/C15H21N3O/c1-12-13(2)18(11-17-12)7-8-19-15-6-4-5-14(9-15)10-16-3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyYXJHDJROWKHXEV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.30
Rot. Bonds6

About 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62440640) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62440640
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCn2cnc(C)c2C)c1
InChIInChI=1S/C15H21N3O/c1-12-13(2)18(11-17-12)7-8-19-15-6-4-5-14(9-15)10-16-3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyYXJHDJROWKHXEV-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
CID 62442521
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
CID 115624859
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62441013
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62440640) is 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCn2cnc(C)c2C)c1.
What is the InChIKey of 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is YXJHDJROWKHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-13(2)18(11-17-12)7-8-19-15-6-4-5-14(9-15)10-16-3/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62440640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).