N-(4-ethyl-2-methoxyphenoxy)aniline

C15H17NO2 — CID 141196312

IUPACN-(4-ethyl-2-methoxyphenoxy)aniline
SMILESCCc1ccc(ONc2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO2/c1-3-12-9-10-14(15(11-12)17-2)18-16-13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3
InChIKeyUUMNFRFCKIFABE-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.66
Rot. Bonds5

About N-(4-ethyl-2-methoxyphenoxy)aniline

N-(4-ethyl-2-methoxyphenoxy)aniline (PubChem CID 141196312) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4-ethyl-2-methoxyphenoxy)aniline.

Molecular Properties

Compound NameN-(4-ethyl-2-methoxyphenoxy)aniline
PubChem CID141196312
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(4-ethyl-2-methoxyphenoxy)aniline
SMILESCCc1ccc(ONc2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO2/c1-3-12-9-10-14(15(11-12)17-2)18-16-13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3
InChIKeyUUMNFRFCKIFABE-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
CID 107668654
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
4-[(4-ethyl-2-methoxyphenoxy)methyl]benzoic acid
CID 104637822
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107668718
1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-methoxyphenoxy)aniline?
The IUPAC name of N-(4-ethyl-2-methoxyphenoxy)aniline (CID 141196312) is N-(4-ethyl-2-methoxyphenoxy)aniline.
What is the SMILES notation for N-(4-ethyl-2-methoxyphenoxy)aniline?
The canonical SMILES for N-(4-ethyl-2-methoxyphenoxy)aniline is CCc1ccc(ONc2ccccc2)c(OC)c1.
What is the InChIKey of N-(4-ethyl-2-methoxyphenoxy)aniline?
The InChIKey is UUMNFRFCKIFABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-12-9-10-14(15(11-12)17-2)18-16-13-7-5-4-6-8-13/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(4-ethyl-2-methoxyphenoxy)aniline?
N-(4-ethyl-2-methoxyphenoxy)aniline has a molecular weight of 243.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-methoxyphenoxy)aniline is sourced from PubChem (CID 141196312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).