1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine

C14H19N3O2 — CID 16781353

IUPAC1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
SMILESCOc1ccc(C(N)Cn2ccnc2C)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-10-16-6-7-17(10)9-13(15)12-5-4-11(18-2)8-14(12)19-3/h4-8,13H,9,15H2,1-3H3
InChIKeyOMMVXXVYURDTBV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine

1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 16781353) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID16781353
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
SMILESCOc1ccc(C(N)Cn2ccnc2C)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-10-16-6-7-17(10)9-13(15)12-5-4-11(18-2)8-14(12)19-3/h4-8,13H,9,15H2,1-3H3
InChIKeyOMMVXXVYURDTBV-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16790663
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]pyridin-4-one
CID 62881699
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 82001790
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]-5-methylpyridazin-3-one
CID 106548597
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine (CID 16781353) is 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine is COc1ccc(C(N)Cn2ccnc2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is OMMVXXVYURDTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-16-6-7-17(10)9-13(15)12-5-4-11(18-2)8-14(12)19-3/h4-8,13H,9,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine?
1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 16781353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).