N-[(4-phenylmethoxyphenyl)methyl]aniline

C20H19NO — CID 2462935

IUPACN-[(4-phenylmethoxyphenyl)methyl]aniline
SMILESc1ccc(COc2ccc(CNc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO/c1-3-7-18(8-4-1)16-22-20-13-11-17(12-14-20)15-21-19-9-5-2-6-10-19/h1-14,21H,15-16H2
InChIKeyHDQPAJASLIOZHY-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.88
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methyl]aniline

N-[(4-phenylmethoxyphenyl)methyl]aniline (PubChem CID 2462935) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]aniline
PubChem CID2462935
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]aniline
SMILESc1ccc(COc2ccc(CNc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO/c1-3-7-18(8-4-1)16-22-20-13-11-17(12-14-20)15-21-19-9-5-2-6-10-19/h1-14,21H,15-16H2
InChIKeyHDQPAJASLIOZHY-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

Florbetaben (18F)
CID 11501341
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
Florbetaben unlabelled
CID 53257383
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
N-(4-Methoxybenzyl)aniline
CID 408377
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
2-(2-Methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
CID 5123423
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]aniline?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]aniline (CID 2462935) is N-[(4-phenylmethoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]aniline?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]aniline is c1ccc(COc2ccc(CNc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]aniline?
The InChIKey is HDQPAJASLIOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-7-18(8-4-1)16-22-20-13-11-17(12-14-20)15-21-19-9-5-2-6-10-19/h1-14,21H,15-16H2.
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]aniline?
N-[(4-phenylmethoxyphenyl)methyl]aniline 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-[(4-phenylmethoxyphenyl)methyl]aniline is sourced from PubChem (CID 2462935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).