N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline

C15H21N3O3 — CID 62356027

IUPACN-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline
SMILESCCn1ccnc1CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-5-18-7-6-16-14(18)10-17-11-8-12(19-2)15(21-4)13(9-11)20-3/h6-9,17H,5,10H2,1-4H3
InChIKeySTLHXDXOHVTMHZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline

N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline (PubChem CID 62356027) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline
PubChem CID62356027
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline
SMILESCCn1ccnc1CNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-5-18-7-6-16-14(18)10-17-11-8-12(19-2)15(21-4)13(9-11)20-3/h6-9,17H,5,10H2,1-4H3
InChIKeySTLHXDXOHVTMHZ-UHFFFAOYSA-N
XLogP2.54
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
3-ethyl-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 62356031
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 116698924
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
(1-ethylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 2890298
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
[3-[(1-ethylimidazol-2-yl)methylamino]phenyl]methanol
CID 62357927
N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 62352079
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62356540
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline (CID 62356027) is N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline is CCn1ccnc1CNc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline?
The InChIKey is STLHXDXOHVTMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-18-7-6-16-14(18)10-17-11-8-12(19-2)15(21-4)13(9-11)20-3/h6-9,17H,5,10H2,1-4H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline?
N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline has a molecular weight of 291.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline is sourced from PubChem (CID 62356027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).