4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline

C26H23NO2 — CID 126128104

IUPAC4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
SMILESc1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C26H23NO2/c1-3-8-21(9-4-1)20-28-26-13-7-10-22(18-26)19-27-23-14-16-25(17-15-23)29-24-11-5-2-6-12-24/h1-18,27H,19-20H2
InChIKeyWMZIXATVPVTAPX-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.67
Rot. Bonds8

About 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline

4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline (PubChem CID 126128104) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
PubChem CID126128104
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
SMILESc1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C26H23NO2/c1-3-8-21(9-4-1)20-28-26-13-7-10-22(18-26)19-27-23-14-16-25(17-15-23)29-24-11-5-2-6-12-24/h1-18,27H,19-20H2
InChIKeyWMZIXATVPVTAPX-UHFFFAOYSA-N
XLogP6.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
N-benzyl-3-phenylmethoxyaniline
CID 54801332
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
N-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline?
The IUPAC name of 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline (CID 126128104) is 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline?
The canonical SMILES for 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline is c1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline?
The InChIKey is WMZIXATVPVTAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-3-8-21(9-4-1)20-28-26-13-7-10-22(18-26)19-27-23-14-16-25(17-15-23)29-24-11-5-2-6-12-24/h1-18,27H,19-20H2.
What are the key properties of 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline?
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline has a molecular weight of 381.48 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline is sourced from PubChem (CID 126128104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).