N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline

C28H27NO2 — CID 54801515

IUPACN-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
SMILESc1ccc(CCOc2ccc(CNc3ccccc3OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H27NO2/c1-3-9-23(10-4-1)19-20-30-26-17-15-24(16-18-26)21-29-27-13-7-8-14-28(27)31-22-25-11-5-2-6-12-25/h1-18,29H,19-22H2
InChIKeyFIIRDKCOCXTRGS-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.50
Rot. Bonds10

About N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline

N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline (PubChem CID 54801515) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
PubChem CID54801515
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC NameN-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline
SMILESc1ccc(CCOc2ccc(CNc3ccccc3OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H27NO2/c1-3-9-23(10-4-1)19-20-30-26-17-15-24(16-18-26)21-29-27-13-7-8-14-28(27)31-22-25-11-5-2-6-12-25/h1-18,29H,19-22H2
InChIKeyFIIRDKCOCXTRGS-UHFFFAOYSA-N
XLogP6.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070
2-(2-ethoxyethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54801760
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54797999
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline?
The IUPAC name of N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline (CID 54801515) is N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline.
What is the SMILES notation for N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline?
The canonical SMILES for N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline is c1ccc(CCOc2ccc(CNc3ccccc3OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline?
The InChIKey is FIIRDKCOCXTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-3-9-23(10-4-1)19-20-30-26-17-15-24(16-18-26)21-29-27-13-7-8-14-28(27)31-22-25-11-5-2-6-12-25/h1-18,29H,19-22H2.
What are the key properties of N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline?
N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline has a molecular weight of 409.53 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-phenylethoxy)phenyl]methyl]-2-phenylmethoxyaniline is sourced from PubChem (CID 54801515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).