2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide

C31H34N2O5 — CID 162056976

IUPAC2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide
SMILESCCc1ccc(Oc2ccccc2N)c(OC)c1.CCc1ccc(Oc2ccccc2NC=O)c(OC)c1
InChIInChI=1S/C16H17NO3.C15H17NO2/c1-3-12-8-9-15(16(10-12)19-2)20-14-7-5-4-6-13(14)17-11-18;1-3-11-8-9-14(15(10-11)17-2)18-13-7-5-4-6-12(13)16/h4-11H,3H2,1-2H3,(H,17,18);4-10H,3,16H2,1-2H3
InChIKeyYZHVFRGGWJZYGI-UHFFFAOYSA-N
MW514.62 g/mol
LogP7.25
Rot. Bonds10

About 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide

2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide (PubChem CID 162056976) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide
PubChem CID162056976
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide
SMILESCCc1ccc(Oc2ccccc2N)c(OC)c1.CCc1ccc(Oc2ccccc2NC=O)c(OC)c1
InChIInChI=1S/C16H17NO3.C15H17NO2/c1-3-12-8-9-15(16(10-12)19-2)20-14-7-5-4-6-13(14)17-11-18;1-3-11-8-9-14(15(10-11)17-2)18-13-7-5-4-6-12(13)16/h4-11H,3H2,1-2H3,(H,17,18);4-10H,3,16H2,1-2H3
InChIKeyYZHVFRGGWJZYGI-UHFFFAOYSA-N
XLogP7.25
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-ethyl-2-methoxyphenyl)benzene-1,2-diamine
CID 115124269
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridin-3-amine
CID 107663831
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-3-amine
CID 107663853
N-(4-ethyl-2-methoxyphenoxy)aniline
CID 141196312
1-[3-(4-ethyl-2-methoxyphenoxy)phenyl]ethanone
CID 107665209
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide (CID 162056976) is 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide is CCc1ccc(Oc2ccccc2N)c(OC)c1.CCc1ccc(Oc2ccccc2NC=O)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide?
The InChIKey is YZHVFRGGWJZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3.C15H17NO2/c1-3-12-8-9-15(16(10-12)19-2)20-14-7-5-4-6-13(14)17-11-18;1-3-11-8-9-14(15(10-11)17-2)18-13-7-5-4-6-12(13)16/h4-11H,3H2,1-2H3,(H,17,18);4-10H,3,16H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide?
2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide has a molecular weight of 514.62 g/mol, XLogP of 7.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)aniline;N-[2-(4-ethyl-2-methoxyphenoxy)phenyl]formamide is sourced from PubChem (CID 162056976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).