4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

C14H19N3O — CID 54964565

IUPAC4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCOc1ccc(NCCn2ccnc2C)cc1C
InChIInChI=1S/C14H19N3O/c1-11-10-13(4-5-14(11)18-3)16-7-9-17-8-6-15-12(17)2/h4-6,8,10,16H,7,9H2,1-3H3
InChIKeyYANHVWVOVAYUKW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.62
Rot. Bonds5

About 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (PubChem CID 54964565) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
PubChem CID54964565
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCOc1ccc(NCCn2ccnc2C)cc1C
InChIInChI=1S/C14H19N3O/c1-11-10-13(4-5-14(11)18-3)16-7-9-17-8-6-15-12(17)2/h4-6,8,10,16H,7,9H2,1-3H3
InChIKeyYANHVWVOVAYUKW-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-fluoro-4-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 54960944
3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61492962
4-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61493258
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
4-[2-(2-methylimidazol-1-yl)ethylamino]benzonitrile
CID 54961145
4-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 65025844
4-N,4-N-diethyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,4-diamine
CID 63180049
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 114254602
4-(difluoromethoxy)-N-[3-(2-methylimidazol-1-yl)propyl]aniline
CID 75397043

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (CID 54964565) is 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is COc1ccc(NCCn2ccnc2C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The InChIKey is YANHVWVOVAYUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-10-13(4-5-14(11)18-3)16-7-9-17-8-6-15-12(17)2/h4-6,8,10,16H,7,9H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 54964565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).