1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine

C15H21N3O2 — CID 79738334

IUPAC1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1Cc1nccn1C
InChIInChI=1S/C15H21N3O2/c1-16-10-12-8-14(20-4)13(19-3)7-11(12)9-15-17-5-6-18(15)2/h5-8,16H,9-10H2,1-4H3
InChIKeyUVBGYWWJINQQNI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.75
Rot. Bonds6

About 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine

1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 79738334) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID79738334
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1Cc1nccn1C
InChIInChI=1S/C15H21N3O2/c1-16-10-12-8-14(20-4)13(19-3)7-11(12)9-15-17-5-6-18(15)2/h5-8,16H,9-10H2,1-4H3
InChIKeyUVBGYWWJINQQNI-UHFFFAOYSA-N
XLogP1.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63974301
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
2-[2-(2-methoxy-5-methylphenyl)prop-2-enyl]-1-methylimidazole
CID 89441655
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608705
1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 61034443
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]-4-nitroaniline
CID 62356749
ethanol;1-methyl-2-[[6,13,20-trimethoxy-12,19-bis[(1-methylimidazol-2-yl)methoxy]-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]imidazole
CID 139144903

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine (CID 79738334) is 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine is CNCc1cc(OC)c(OC)cc1Cc1nccn1C.
What is the InChIKey of 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is UVBGYWWJINQQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-10-12-8-14(20-4)13(19-3)7-11(12)9-15-17-5-6-18(15)2/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine?
1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 79738334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).