4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol

C11H16ClNO2 — CID 107715982

IUPAC4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1c(N)cccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-11(2,14)6-7-15-10-8(12)4-3-5-9(10)13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyQPHKEGDAYYSFLE-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.46
Rot. Bonds4

About 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol

4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol (PubChem CID 107715982) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
PubChem CID107715982
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1c(N)cccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-11(2,14)6-7-15-10-8(12)4-3-5-9(10)13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyQPHKEGDAYYSFLE-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-6-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 107715656
3-chloro-2-propoxyaniline
CID 14618927
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzenecarbothioamide
CID 113277332
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355688
3-chloro-2-(3-phenoxypropoxy)aniline
CID 107715829
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol (CID 107715982) is 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol is CC(C)(O)CCOc1c(N)cccc1Cl.
What is the InChIKey of 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol?
The InChIKey is QPHKEGDAYYSFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-11(2,14)6-7-15-10-8(12)4-3-5-9(10)13/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol?
4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 107715982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).