N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline

C15H21N3O2 — CID 62350814

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
SMILESCCn1ccnc1CNc1ccc(OCCOC)cc1
InChIInChI=1S/C15H21N3O2/c1-3-18-9-8-16-15(18)12-17-13-4-6-14(7-5-13)20-11-10-19-2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyUMBGLZPBZNOKCP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline

N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline (PubChem CID 62350814) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
PubChem CID62350814
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
SMILESCCn1ccnc1CNc1ccc(OCCOC)cc1
InChIInChI=1S/C15H21N3O2/c1-3-18-9-8-16-15(18)12-17-13-4-6-14(7-5-13)20-11-10-19-2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyUMBGLZPBZNOKCP-UHFFFAOYSA-N
XLogP2.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline
CID 62356027
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline (CID 62350814) is N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline is CCn1ccnc1CNc1ccc(OCCOC)cc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline?
The InChIKey is UMBGLZPBZNOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18-9-8-16-15(18)12-17-13-4-6-14(7-5-13)20-11-10-19-2/h4-9,17H,3,10-12H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline?
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline has a molecular weight of 275.35 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 62350814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).