3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline

C18H23NO2 — CID 54800925

IUPAC3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
SMILESCCOc1cccc(NCC(C)Oc2ccccc2C)c1
InChIInChI=1S/C18H23NO2/c1-4-20-17-10-7-9-16(12-17)19-13-15(3)21-18-11-6-5-8-14(18)2/h5-12,15,19H,4,13H2,1-3H3
InChIKeyMZYNLIPPUPZHDF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds7

About 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline

3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline (PubChem CID 54800925) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
PubChem CID54800925
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline
SMILESCCOc1cccc(NCC(C)Oc2ccccc2C)c1
InChIInChI=1S/C18H23NO2/c1-4-20-17-10-7-9-16(12-17)19-13-15(3)21-18-11-6-5-8-14(18)2/h5-12,15,19H,4,13H2,1-3H3
InChIKeyMZYNLIPPUPZHDF-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-[2-(2-methylphenoxy)propyl]aniline
CID 54800540
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
CID 54796761
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
N-[2-(2-methylphenoxy)propyl]-4-propoxyaniline
CID 54799019
N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline
CID 54797517
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
N-[2-(2,5-dimethylphenoxy)propyl]-3-(2-phenylethoxy)aniline
CID 54802599
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803104
N-[2-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropoxy)aniline
CID 54801863
N-[2-(2-methylphenoxy)butyl]-3-(3-phenylpropoxy)aniline
CID 54801839
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline?
The IUPAC name of 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline (CID 54800925) is 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline?
The canonical SMILES for 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline is CCOc1cccc(NCC(C)Oc2ccccc2C)c1.
What is the InChIKey of 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline?
The InChIKey is MZYNLIPPUPZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-20-17-10-7-9-16(12-17)19-13-15(3)21-18-11-6-5-8-14(18)2/h5-12,15,19H,4,13H2,1-3H3.
What are the key properties of 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline?
3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-methylphenoxy)propyl]aniline is sourced from PubChem (CID 54800925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).