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

C22H23NO2 — CID 54796698

IUPAC4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H23NO2/c1-2-15-24-22-10-6-7-18(16-22)17-23-19-11-13-21(14-12-19)25-20-8-4-3-5-9-20/h3-14,16,23H,2,15,17H2,1H3
InChIKeyNYKPWBHJPXUPPI-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.88
Rot. Bonds8

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

4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline (PubChem CID 54796698) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
PubChem CID54796698
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
SMILESCCCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H23NO2/c1-2-15-24-22-10-6-7-18(16-22)17-23-19-11-13-21(14-12-19)25-20-8-4-3-5-9-20/h3-14,16,23H,2,15,17H2,1H3
InChIKeyNYKPWBHJPXUPPI-UHFFFAOYSA-N
XLogP5.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenoxy-N-[(3-propoxyphenyl)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-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-butoxyphenyl)methyl]-4-ethylaniline
CID 39384038
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
3-chloro-N-[(3-propoxyphenyl)methyl]aniline
CID 39375106

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline?
The IUPAC name of 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline (CID 54796698) is 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline?
The canonical SMILES for 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline is CCCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline?
The InChIKey is NYKPWBHJPXUPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-15-24-22-10-6-7-18(16-22)17-23-19-11-13-21(14-12-19)25-20-8-4-3-5-9-20/h3-14,16,23H,2,15,17H2,1H3.
What are the key properties of 4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline?
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline has a molecular weight of 333.43 g/mol, XLogP of 5.88, 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-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 54796698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).