N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline

C23H25NO3 — CID 54801327

IUPACN-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
SMILESCOc1ccc(OC(C)CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H25NO3/c1-18(27-22-13-11-21(25-2)12-14-22)16-24-20-9-6-10-23(15-20)26-17-19-7-4-3-5-8-19/h3-15,18,24H,16-17H2,1-2H3
InChIKeyIQLDADWAWVCKCU-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.15
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline

N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline (PubChem CID 54801327) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
PubChem CID54801327
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
SMILESCOc1ccc(OC(C)CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C23H25NO3/c1-18(27-22-13-11-21(25-2)12-14-22)16-24-20-9-6-10-23(15-20)26-17-19-7-4-3-5-8-19/h3-15,18,24H,16-17H2,1-2H3
InChIKeyIQLDADWAWVCKCU-UHFFFAOYSA-N
XLogP5.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
N-[2-(2-methoxyphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801861
N-benzyl-3-phenylmethoxyaniline
CID 54801332
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[2-(4-tert-butylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803138
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline (CID 54801327) is N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline is COc1ccc(OC(C)CNc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline?
The InChIKey is IQLDADWAWVCKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-18(27-22-13-11-21(25-2)12-14-22)16-24-20-9-6-10-23(15-20)26-17-19-7-4-3-5-8-19/h3-15,18,24H,16-17H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline?
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline has a molecular weight of 363.46 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 54801327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).