4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C14H19N3O — CID 114527611

IUPAC4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCOc1ccc(NCCc2nccn2C)c(C)c1
InChIInChI=1S/C14H19N3O/c1-11-10-12(18-3)4-5-13(11)15-7-6-14-16-8-9-17(14)2/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyFQMWKHVEZNGYKY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds5

About 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527611) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527611
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCOc1ccc(NCCc2nccn2C)c(C)c1
InChIInChI=1S/C14H19N3O/c1-11-10-12(18-3)4-5-13(11)15-7-6-14-16-8-9-17(14)2/h4-5,8-10,15H,6-7H2,1-3H3
InChIKeyFQMWKHVEZNGYKY-UHFFFAOYSA-N
XLogP2.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 61212795
2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527450
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
7-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510431
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354
4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527611) is 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is COc1ccc(NCCc2nccn2C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is FQMWKHVEZNGYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-10-12(18-3)4-5-13(11)15-7-6-14-16-8-9-17(14)2/h4-5,8-10,15H,6-7H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).