N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline

C27H25NO3 — CID 54107387

IUPACN-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
SMILESCCOc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO3/c1-3-30-25-17-11-22(12-18-25)28(21-9-15-24(29-2)16-10-21)23-13-19-27(20-14-23)31-26-7-5-4-6-8-26/h4-20H,3H2,1-2H3
InChIKeyNESLQXSPTVZUDI-UHFFFAOYSA-N
MW411.50 g/mol
LogP7.36
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline

N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline (PubChem CID 54107387) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
PubChem CID54107387
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC NameN-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
SMILESCCOc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C27H25NO3/c1-3-30-25-17-11-22(12-18-25)28(21-9-15-24(29-2)16-10-21)23-13-19-27(20-14-23)31-26-7-5-4-6-8-26/h4-20H,3H2,1-2H3
InChIKeyNESLQXSPTVZUDI-UHFFFAOYSA-N
XLogP7.36
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[3,4-diethoxy-5-[4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-phenoxyphenyl)aniline
CID 123519117
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
CID 58701260
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline?
The IUPAC name of N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline (CID 54107387) is N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline is CCOc1ccc(N(c2ccc(OC)cc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline?
The InChIKey is NESLQXSPTVZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-3-30-25-17-11-22(12-18-25)28(21-9-15-24(29-2)16-10-21)23-13-19-27(20-14-23)31-26-7-5-4-6-8-26/h4-20H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline?
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline has a molecular weight of 411.50 g/mol, XLogP of 7.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline is sourced from PubChem (CID 54107387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).