N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline

C21H21NO2 — CID 54801333

IUPACN-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
SMILESCOc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-23-20-12-10-17(11-13-20)15-22-19-8-5-9-21(14-19)24-16-18-6-3-2-4-7-18/h2-14,22H,15-16H2,1H3
InChIKeyBSGXDLGVNMZOCV-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.89
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline

N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline (PubChem CID 54801333) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
PubChem CID54801333
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
SMILESCOc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H21NO2/c1-23-20-12-10-17(11-13-20)15-22-19-8-5-9-21(14-19)24-16-18-6-3-2-4-7-18/h2-14,22H,15-16H2,1H3
InChIKeyBSGXDLGVNMZOCV-UHFFFAOYSA-N
XLogP4.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-phenylmethoxyaniline
CID 54801332
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
CID 54801327
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline (CID 54801333) is N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline is COc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
The InChIKey is BSGXDLGVNMZOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-20-12-10-17(11-13-20)15-22-19-8-5-9-21(14-19)24-16-18-6-3-2-4-7-18/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline has a molecular weight of 319.40 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 54801333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).