3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline

C16H23N3O2 — CID 62957381

IUPAC3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1cccc(OCCOC)c1
InChIInChI=1S/C16H23N3O2/c1-3-8-19-9-7-17-16(19)13-18-14-5-4-6-15(12-14)21-11-10-20-2/h4-7,9,12,18H,3,8,10-11,13H2,1-2H3
InChIKeyCHAOGYYANJFIKS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.93
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline

3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 62957381) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID62957381
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1cccc(OCCOC)c1
InChIInChI=1S/C16H23N3O2/c1-3-8-19-9-7-17-16(19)13-18-14-5-4-6-15(12-14)21-11-10-20-2/h4-7,9,12,18H,3,8,10-11,13H2,1-2H3
InChIKeyCHAOGYYANJFIKS-UHFFFAOYSA-N
XLogP2.93
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]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

N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
N-[(1-ethylimidazol-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 62352079
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
3-(1,3-oxazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957900
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
3-(1,3,4-oxadiazol-2-yl)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955245
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 62957381) is 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1cccc(OCCOC)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is CHAOGYYANJFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-19-9-7-17-16(19)13-18-14-5-4-6-15(12-14)21-11-10-20-2/h4-7,9,12,18H,3,8,10-11,13H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline?
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 62957381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).