N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline

C21H21NO2 — CID 54801511

IUPACN-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
SMILESCOc1ccc(CNc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-23-19-13-11-17(12-14-19)15-22-20-9-5-6-10-21(20)24-16-18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3
InChIKeyURTALLBVDJVOTH-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.89
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline

N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline (PubChem CID 54801511) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
PubChem CID54801511
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
SMILESCOc1ccc(CNc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-23-19-13-11-17(12-14-19)15-22-20-9-5-6-10-21(20)24-16-18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3
InChIKeyURTALLBVDJVOTH-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-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
CID 54801515
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113253994
1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
CID 174559518
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708
N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-9H-thioxanthen-1-amine
CID 22139447
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline (CID 54801511) is N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline is COc1ccc(CNc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline?
The InChIKey is URTALLBVDJVOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-19-13-11-17(12-14-19)15-22-20-9-5-6-10-21(20)24-16-18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline?
N-[(4-methoxyphenyl)methyl]-2-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]-2-phenylmethoxyaniline is sourced from PubChem (CID 54801511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).