4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline

C15H25NO2 — CID 43785298

IUPAC4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
SMILESCCOc1ccc(NC(CC)C(C)C)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-13(11(3)4)16-12-8-9-14(18-7-2)15(10-12)17-5/h8-11,13,16H,6-7H2,1-5H3
InChIKeyPVNQYHCKSNKFRF-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.94
Rot. Bonds7

About 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline

4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline (PubChem CID 43785298) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
PubChem CID43785298
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
SMILESCCOc1ccc(NC(CC)C(C)C)cc1OC
InChIInChI=1S/C15H25NO2/c1-6-13(11(3)4)16-12-8-9-14(18-7-2)15(10-12)17-5/h8-11,13,16H,6-7H2,1-5H3
InChIKeyPVNQYHCKSNKFRF-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.94
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

4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline
CID 43758510
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
3-methoxy-N-(2-methylpentan-3-yl)-4-nitroaniline
CID 55232742
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
CID 65337928
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
2-(3-ethoxy-4-methoxyanilino)butanoic acid
CID 115352840
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline (CID 43785298) is 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline is CCOc1ccc(NC(CC)C(C)C)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline?
The InChIKey is PVNQYHCKSNKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(11(3)4)16-12-8-9-14(18-7-2)15(10-12)17-5/h8-11,13,16H,6-7H2,1-5H3.
What are the key properties of 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline?
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline has a molecular weight of 251.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline is sourced from PubChem (CID 43785298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).