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

C21H21NO — CID 54801284

IUPACN-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
SMILESCc1ccccc1CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H21NO/c1-17-8-5-6-11-19(17)15-22-20-12-7-13-21(14-20)23-16-18-9-3-2-4-10-18/h2-14,22H,15-16H2,1H3
InChIKeySRRUVDKOFOSFQT-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.19
Rot. Bonds6

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

N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline (PubChem CID 54801284) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
PubChem CID54801284
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC NameN-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
SMILESCc1ccccc1CNc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H21NO/c1-17-8-5-6-11-19(17)15-22-20-12-7-13-21(14-20)23-16-18-9-3-2-4-10-18/h2-14,22H,15-16H2,1H3
InChIKeySRRUVDKOFOSFQT-UHFFFAOYSA-N
XLogP5.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-benzyl-3-phenylmethoxyaniline
CID 54801332
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
4-[3-[(2-methylphenyl)methylamino]phenoxy]butanenitrile
CID 60943112
N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline (CID 54801284) is N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline is Cc1ccccc1CNc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline?
The InChIKey is SRRUVDKOFOSFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-17-8-5-6-11-19(17)15-22-20-12-7-13-21(14-20)23-16-18-9-3-2-4-10-18/h2-14,22H,15-16H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline?
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline has a molecular weight of 303.40 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline is sourced from PubChem (CID 54801284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).