3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline

C14H23NO2 — CID 83952039

IUPAC3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
SMILESCCOc1cc(NC(C)C)ccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-6-16-14-9-12(15-10(2)3)7-8-13(14)17-11(4)5/h7-11,15H,6H2,1-5H3
InChIKeyWHZXNNIIEYQAPW-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.69
Rot. Bonds6

About 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline

3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline (PubChem CID 83952039) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
PubChem CID83952039
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
SMILESCCOc1cc(NC(C)C)ccc1OC(C)C
InChIInChI=1S/C14H23NO2/c1-6-16-14-9-12(15-10(2)3)7-8-13(14)17-11(4)5/h7-11,15H,6H2,1-5H3
InChIKeyWHZXNNIIEYQAPW-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
N-but-3-en-2-yl-3,4-diethoxyaniline
CID 114014515
4-ethenyl-2-ethoxy-1-propan-2-yloxybenzene
CID 118269443
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
CID 82160972
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
CID 65337928
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline
CID 83961524
(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529586
(2R)-2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)ethanol
CID 66514904
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline?
The IUPAC name of 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline (CID 83952039) is 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline.
What is the SMILES notation for 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline?
The canonical SMILES for 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline is CCOc1cc(NC(C)C)ccc1OC(C)C.
What is the InChIKey of 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline?
The InChIKey is WHZXNNIIEYQAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-6-16-14-9-12(15-10(2)3)7-8-13(14)17-11(4)5/h7-11,15H,6H2,1-5H3.
What are the key properties of 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline?
3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline has a molecular weight of 237.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline is sourced from PubChem (CID 83952039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).