N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

C27H25NO2 — CID 126117506

IUPACN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESCc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H25NO2/c1-21-7-9-23(10-8-21)20-29-25-15-11-22(12-16-25)19-28-24-13-17-27(18-14-24)30-26-5-3-2-4-6-26/h2-18,28H,19-20H2,1H3
InChIKeyCBMMYFGPDOJSMJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.98
Rot. Bonds8

About N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline

N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (PubChem CID 126117506) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
PubChem CID126117506
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC NameN-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
SMILESCc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H25NO2/c1-21-7-9-23(10-8-21)20-29-25-15-11-22(12-16-25)19-28-24-13-17-27(18-14-24)30-26-5-3-2-4-6-26/h2-18,28H,19-20H2,1H3
InChIKeyCBMMYFGPDOJSMJ-UHFFFAOYSA-N
XLogP6.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126119873
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
4-methyl-N-[[4-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797347
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126121743
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline (CID 126117506) is N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is Cc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
The InChIKey is CBMMYFGPDOJSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-21-7-9-23(10-8-21)20-29-25-15-11-22(12-16-25)19-28-24-13-17-27(18-14-24)30-26-5-3-2-4-6-26/h2-18,28H,19-20H2,1H3.
What are the key properties of N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline?
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline has a molecular weight of 395.50 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126117506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).