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

C17H21NO2 — CID 107668654

IUPACN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
SMILESCCc1ccc(OCCNc2ccccc2)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-3-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyZFWIWLAQSVEZQE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds7

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

N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline (PubChem CID 107668654) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
PubChem CID107668654
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline
SMILESCCc1ccc(OCCNc2ccccc2)c(OC)c1
InChIInChI=1S/C17H21NO2/c1-3-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyZFWIWLAQSVEZQE-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethyl-2-methoxyphenoxy)aniline
CID 141196312
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107668718
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245
3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133
4-(4-ethyl-2-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 107668456

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline?
The IUPAC name of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline (CID 107668654) is N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline?
The canonical SMILES for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline is CCc1ccc(OCCNc2ccccc2)c(OC)c1.
What is the InChIKey of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline?
The InChIKey is ZFWIWLAQSVEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline?
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]aniline is sourced from PubChem (CID 107668654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).