N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline

C21H21NO2 — CID 54801294

IUPACN-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
SMILESCOc1ccccc1CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H21NO2/c1-23-21-13-6-5-10-18(21)15-22-19-11-7-12-20(14-19)24-16-17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3
InChIKeyMNQRXJHCPMDARU-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.89
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline

N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline (PubChem CID 54801294) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
PubChem CID54801294
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
SMILESCOc1ccccc1CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H21NO2/c1-23-21-13-6-5-10-18(21)15-22-19-11-7-12-20(14-19)24-16-17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3
InChIKeyMNQRXJHCPMDARU-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-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-benzyl-3-phenylmethoxyaniline
CID 54801332
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 46194968
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
2-[3-[[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]methylamino]phenoxy]-2-methylpropanoic acid
CID 139501208
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline (CID 54801294) is N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline is COc1ccccc1CNc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
The InChIKey is MNQRXJHCPMDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-21-13-6-5-10-18(21)15-22-19-11-7-12-20(14-19)24-16-17-8-3-2-4-9-17/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline?
N-[(2-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-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 54801294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).