4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline

C17H21NO3 — CID 43734134

IUPAC4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOCCOc1ccc(NCc2cccc(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-10-11-21-16-8-6-15(7-9-16)18-13-14-4-3-5-17(12-14)20-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyAKOQPJSDMIIAMR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.33
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline

4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 43734134) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID43734134
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOCCOc1ccc(NCc2cccc(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-10-11-21-16-8-6-15(7-9-16)18-13-14-4-3-5-17(12-14)20-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyAKOQPJSDMIIAMR-UHFFFAOYSA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
N-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
3-chloro-4-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39446920
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
4-fluoro-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796489

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline (CID 43734134) is 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline is COCCOc1ccc(NCc2cccc(OC)c2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is AKOQPJSDMIIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-10-11-21-16-8-6-15(7-9-16)18-13-14-4-3-5-17(12-14)20-2/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline has a molecular weight of 287.36 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43734134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).