2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol

C13H21NO2 — CID 62488457

IUPAC2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
SMILESCOc1ccccc1NC(C)(CO)C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)13(3,9-15)14-11-7-5-6-8-12(11)16-4/h5-8,10,14-15H,9H2,1-4H3
InChIKeyBFJVVPHJZLGZGB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds5

About 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol

2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol (PubChem CID 62488457) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
PubChem CID62488457
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
SMILESCOc1ccccc1NC(C)(CO)C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)13(3,9-15)14-11-7-5-6-8-12(11)16-4/h5-8,10,14-15H,9H2,1-4H3
InChIKeyBFJVVPHJZLGZGB-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
CID 107707749
2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
CID 54887592
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
CID 64919153
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
CID 61048485

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol (CID 62488457) is 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol is COc1ccccc1NC(C)(CO)C(C)C.
What is the InChIKey of 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol?
The InChIKey is BFJVVPHJZLGZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)13(3,9-15)14-11-7-5-6-8-12(11)16-4/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol?
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 62488457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).