2-ethyl-2-(2-methoxyanilino)butan-1-ol

C13H21NO2 — CID 61049290

IUPAC2-ethyl-2-(2-methoxyanilino)butan-1-ol
SMILESCCC(CC)(CO)Nc1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-13(5-2,10-15)14-11-8-6-7-9-12(11)16-3/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyQYHCFWOAHQFGJF-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds6

About 2-ethyl-2-(2-methoxyanilino)butan-1-ol

2-ethyl-2-(2-methoxyanilino)butan-1-ol (PubChem CID 61049290) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-2-(2-methoxyanilino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-methoxyanilino)butan-1-ol
PubChem CID61049290
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethyl-2-(2-methoxyanilino)butan-1-ol
SMILESCCC(CC)(CO)Nc1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-4-13(5-2,10-15)14-11-8-6-7-9-12(11)16-3/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyQYHCFWOAHQFGJF-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
CID 64919153
2-(2-bromoanilino)-2-ethylbutan-1-ol
CID 61050046
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291
2-anilino-2-ethylbutan-1-ol
CID 61046791
2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
CID 107707749

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methoxyanilino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-methoxyanilino)butan-1-ol (CID 61049290) is 2-ethyl-2-(2-methoxyanilino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-methoxyanilino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-methoxyanilino)butan-1-ol is CCC(CC)(CO)Nc1ccccc1OC.
What is the InChIKey of 2-ethyl-2-(2-methoxyanilino)butan-1-ol?
The InChIKey is QYHCFWOAHQFGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(5-2,10-15)14-11-8-6-7-9-12(11)16-3/h6-9,14-15H,4-5,10H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methoxyanilino)butan-1-ol?
2-ethyl-2-(2-methoxyanilino)butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methoxyanilino)butan-1-ol is sourced from PubChem (CID 61049290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).