[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine

C14H19N3O2 — CID 95467379

IUPAC[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
SMILESCOc1ccc(Cc2nc(CN)cn2C)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-17-9-11(8-15)16-14(17)6-10-4-5-12(18-2)7-13(10)19-3/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyUBLGZLRPNAMPMJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds5

About [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine

[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine (PubChem CID 95467379) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
PubChem CID95467379
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
SMILESCOc1ccc(Cc2nc(CN)cn2C)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-17-9-11(8-15)16-14(17)6-10-4-5-12(18-2)7-13(10)19-3/h4-5,7,9H,6,8,15H2,1-3H3
InChIKeyUBLGZLRPNAMPMJ-UHFFFAOYSA-N
XLogP1.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95469453
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 95458015
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596411
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
[5-bromo-4-(2,5-dimethoxyphenyl)-1-methylimidazol-2-yl]methanamine
CID 84606680
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine?
The IUPAC name of [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine (CID 95467379) is [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine?
The canonical SMILES for [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine is COc1ccc(Cc2nc(CN)cn2C)c(OC)c1.
What is the InChIKey of [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine?
The InChIKey is UBLGZLRPNAMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-9-11(8-15)16-14(17)6-10-4-5-12(18-2)7-13(10)19-3/h4-5,7,9H,6,8,15H2,1-3H3.
What are the key properties of [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine?
[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 95467379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).