N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline

C22H23NO3 — CID 54799583

IUPACN-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
SMILESCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO3/c1-24-20-11-7-18(8-12-20)17-23-19-9-13-22(14-10-19)26-16-15-25-21-5-3-2-4-6-21/h2-14,23H,15-17H2,1H3
InChIKeyMTDQGULDMBSJMR-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.77
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline (PubChem CID 54799583) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
PubChem CID54799583
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
SMILESCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO3/c1-24-20-11-7-18(8-12-20)17-23-19-9-13-22(14-10-19)26-16-15-25-21-5-3-2-4-6-21/h2-14,23H,15-17H2,1H3
InChIKeyMTDQGULDMBSJMR-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': '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-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[(4-butan-2-yloxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 46736287
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline (CID 54799583) is N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline is COc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline?
The InChIKey is MTDQGULDMBSJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-24-20-11-7-18(8-12-20)17-23-19-9-13-22(14-10-19)26-16-15-25-21-5-3-2-4-6-21/h2-14,23H,15-17H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline?
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)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 N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54799583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).