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

C14H19N3O2 — CID 62358267

IUPAC3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCCOc1cc(NCc2nccn2C)ccc1OC
InChIInChI=1S/C14H19N3O2/c1-4-19-13-9-11(5-6-12(13)18-3)16-10-14-15-7-8-17(14)2/h5-9,16H,4,10H2,1-3H3
InChIKeyHJPNIXHKVBFVQC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds6

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

3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 62358267) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID62358267
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCCOc1cc(NCc2nccn2C)ccc1OC
InChIInChI=1S/C14H19N3O2/c1-4-19-13-9-11(5-6-12(13)18-3)16-10-14-15-7-8-17(14)2/h5-9,16H,4,10H2,1-3H3
InChIKeyHJPNIXHKVBFVQC-UHFFFAOYSA-N
XLogP2.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
3,4-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527460
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
2-ethoxy-4-fluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62356406
3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 115885541
4-[(3-ethoxy-4-methoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202930
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 62358267) is 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline is CCOc1cc(NCc2nccn2C)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is HJPNIXHKVBFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-13-9-11(5-6-12(13)18-3)16-10-14-15-7-8-17(14)2/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline?
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 261.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62358267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).