N-benzyl-3-phenylmethoxyaniline

C20H19NO — CID 54801332

IUPACN-benzyl-3-phenylmethoxyaniline
SMILESc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14,21H,15-16H2
InChIKeySYIYAIUHHVEISF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.88
Rot. Bonds6

About N-benzyl-3-phenylmethoxyaniline

N-benzyl-3-phenylmethoxyaniline (PubChem CID 54801332) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-3-phenylmethoxyaniline.

Molecular Properties

Compound NameN-benzyl-3-phenylmethoxyaniline
PubChem CID54801332
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC NameN-benzyl-3-phenylmethoxyaniline
SMILESc1ccc(CNc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H19NO/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14,21H,15-16H2
InChIKeySYIYAIUHHVEISF-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-phenoxyethoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801667
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-[(2-methylphenyl)methyl]-3-phenylmethoxyaniline
CID 54801284
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
3-[(3-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4987566
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenylmethoxyaniline?
The IUPAC name of N-benzyl-3-phenylmethoxyaniline (CID 54801332) is N-benzyl-3-phenylmethoxyaniline.
What is the SMILES notation for N-benzyl-3-phenylmethoxyaniline?
The canonical SMILES for N-benzyl-3-phenylmethoxyaniline is c1ccc(CNc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-phenylmethoxyaniline?
The InChIKey is SYIYAIUHHVEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14,21H,15-16H2.
What are the key properties of N-benzyl-3-phenylmethoxyaniline?
N-benzyl-3-phenylmethoxyaniline has a molecular weight of 289.38 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenylmethoxyaniline is sourced from PubChem (CID 54801332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).