5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline

C18H23NO2 — CID 82097172

IUPAC5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
SMILESCCc1ccc(OCCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-15-6-9-16(10-7-15)20-11-4-12-21-17-8-5-14(2)18(19)13-17/h5-10,13H,3-4,11-12,19H2,1-2H3
InChIKeyJYDNPLPLJQVGBN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.99
Rot. Bonds7

About 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline

5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline (PubChem CID 82097172) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
PubChem CID82097172
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline
SMILESCCc1ccc(OCCCOc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C18H23NO2/c1-3-15-6-9-16(10-7-15)20-11-4-12-21-17-8-5-14(2)18(19)13-17/h5-10,13H,3-4,11-12,19H2,1-2H3
InChIKeyJYDNPLPLJQVGBN-UHFFFAOYSA-N
XLogP3.99
TPSA44.48 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-ethylphenoxy)ethoxy]-2-methylaniline
CID 39371068
5-[3-(4-methoxyphenoxy)propoxy]-2-methylaniline
CID 82097177
2-methyl-5-[4-(4-methylphenoxy)butoxy]aniline
CID 82097286
5-[3-(3,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097173
2-methyl-5-[3-[4-(2-methylbutan-2-yl)phenoxy]propoxy]aniline
CID 82097183
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
5-[3-(2,5-dimethylphenoxy)propoxy]-2-methylaniline
CID 82097167
5-(3-ethylsulfonylpropoxy)-2-methylaniline
CID 114252472
5-[(4-aminophenoxy)methoxy]-2-methylaniline
CID 146356078
5-(4-ethylphenyl)-2-methylaniline
CID 61025757
[4-[3-(3-fluoro-4-methylphenoxy)propoxy]phenyl]methanamine
CID 107168782
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline?
The IUPAC name of 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline (CID 82097172) is 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline.
What is the SMILES notation for 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline?
The canonical SMILES for 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline is CCc1ccc(OCCCOc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline?
The InChIKey is JYDNPLPLJQVGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-15-6-9-16(10-7-15)20-11-4-12-21-17-8-5-14(2)18(19)13-17/h5-10,13H,3-4,11-12,19H2,1-2H3.
What are the key properties of 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline?
5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline has a molecular weight of 285.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylphenoxy)propoxy]-2-methylaniline is sourced from PubChem (CID 82097172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).