2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline

C22H23NO3 — CID 54798109

IUPAC2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C22H23NO3/c1-24-22-10-6-5-9-21(22)23-17-18-11-13-20(14-12-18)26-16-15-25-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3
InChIKeyPOKPOWNKDDJZBY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.77
Rot. Bonds9

About 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline

2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline (PubChem CID 54798109) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
PubChem CID54798109
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C22H23NO3/c1-24-22-10-6-5-9-21(22)23-17-18-11-13-20(14-12-18)26-16-15-25-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3
InChIKeyPOKPOWNKDDJZBY-UHFFFAOYSA-N
XLogP4.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-(2-ethoxyethoxy)-N-[(4-propoxyphenyl)methyl]aniline
CID 54801709
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
CID 54801515
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
2-(2-ethoxyethoxy)-N-[(4-heptoxyphenyl)methyl]aniline
CID 54801750
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline (CID 54798109) is 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline is COc1ccccc1NCc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
The InChIKey is POKPOWNKDDJZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-24-22-10-6-5-9-21(22)23-17-18-11-13-20(14-12-18)26-16-15-25-19-7-3-2-4-8-19/h2-14,23H,15-17H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline?
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline has a molecular weight of 349.43 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54798109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).