5-tert-butyl-2-ethoxy-N-methylaniline

C13H21NO — CID 82264357

IUPAC5-tert-butyl-2-ethoxy-N-methylaniline
SMILESCCOc1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C13H21NO/c1-6-15-12-8-7-10(13(2,3)4)9-11(12)14-5/h7-9,14H,6H2,1-5H3
InChIKeyGTMDSWAALAVQCB-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.42
Rot. Bonds3

About 5-tert-butyl-2-ethoxy-N-methylaniline

5-tert-butyl-2-ethoxy-N-methylaniline (PubChem CID 82264357) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-tert-butyl-2-ethoxy-N-methylaniline.

Molecular Properties

Compound Name5-tert-butyl-2-ethoxy-N-methylaniline
PubChem CID82264357
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-tert-butyl-2-ethoxy-N-methylaniline
SMILESCCOc1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C13H21NO/c1-6-15-12-8-7-10(13(2,3)4)9-11(12)14-5/h7-9,14H,6H2,1-5H3
InChIKeyGTMDSWAALAVQCB-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine
CID 67533640
N-[2-ethoxy-5-[2-hydroxy-1-(methylamino)propan-2-yl]phenyl]acetamide
CID 112513667
N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide
CID 22165806
4,5-dichloro-2-ethoxy-N-methylaniline
CID 82553897
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-ethoxyphenyl)ethenyl]phenyl]ethenyl]-1-ethoxybenzene
CID 102415018
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethoxy-N-methylaniline?
The IUPAC name of 5-tert-butyl-2-ethoxy-N-methylaniline (CID 82264357) is 5-tert-butyl-2-ethoxy-N-methylaniline.
What is the SMILES notation for 5-tert-butyl-2-ethoxy-N-methylaniline?
The canonical SMILES for 5-tert-butyl-2-ethoxy-N-methylaniline is CCOc1ccc(C(C)(C)C)cc1NC.
What is the InChIKey of 5-tert-butyl-2-ethoxy-N-methylaniline?
The InChIKey is GTMDSWAALAVQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-6-15-12-8-7-10(13(2,3)4)9-11(12)14-5/h7-9,14H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethoxy-N-methylaniline?
5-tert-butyl-2-ethoxy-N-methylaniline has a molecular weight of 207.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethoxy-N-methylaniline is sourced from PubChem (CID 82264357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).