3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline

C20H27NO4 — CID 54802183

IUPAC3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
SMILESCCOCCOc1cccc(NCC(C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C20H27NO4/c1-4-23-12-13-24-20-7-5-6-17(14-20)21-15-16(2)25-19-10-8-18(22-3)9-11-19/h5-11,14,16,21H,4,12-13,15H2,1-3H3
InChIKeyHFXGGOPDSIXAEF-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.99
Rot. Bonds11

About 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline

3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline (PubChem CID 54802183) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
PubChem CID54802183
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
SMILESCCOCCOc1cccc(NCC(C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C20H27NO4/c1-4-23-12-13-24-20-7-5-6-17(14-20)21-15-16(2)25-19-10-8-18(22-3)9-11-19/h5-11,14,16,21H,4,12-13,15H2,1-3H3
InChIKeyHFXGGOPDSIXAEF-UHFFFAOYSA-N
XLogP3.99
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
CID 54801327
N-[2-(4-tert-butylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803138
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
2-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54801773
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803104
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline (CID 54802183) is 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline is CCOCCOc1cccc(NCC(C)Oc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline?
The InChIKey is HFXGGOPDSIXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-23-12-13-24-20-7-5-6-17(14-20)21-15-16(2)25-19-10-8-18(22-3)9-11-19/h5-11,14,16,21H,4,12-13,15H2,1-3H3.
What are the key properties of 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline?
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline has a molecular weight of 345.44 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline is sourced from PubChem (CID 54802183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).