4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol

C12H19NO3 — CID 79360631

IUPAC4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
SMILESCOc1ccc(OCCC(C)(C)O)c(N)c1
InChIInChI=1S/C12H19NO3/c1-12(2,14)6-7-16-11-5-4-9(15-3)8-10(11)13/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyHSSVVWHOUGTWAY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.82
Rot. Bonds5

About 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol

4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol (PubChem CID 79360631) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
PubChem CID79360631
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
SMILESCOc1ccc(OCCC(C)(C)O)c(N)c1
InChIInChI=1S/C12H19NO3/c1-12(2,14)6-7-16-11-5-4-9(15-3)8-10(11)13/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyHSSVVWHOUGTWAY-UHFFFAOYSA-N
XLogP1.82
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106708281
5-methoxy-2-nonoxyaniline
CID 43128995
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 82000365
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662
4-(3-hydroxy-3-methylbutoxy)-3-methoxybenzenecarbothioamide
CID 79355160
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol (CID 79360631) is 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol is COc1ccc(OCCC(C)(C)O)c(N)c1.
What is the InChIKey of 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol?
The InChIKey is HSSVVWHOUGTWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,14)6-7-16-11-5-4-9(15-3)8-10(11)13/h4-5,8,14H,6-7,13H2,1-3H3.
What are the key properties of 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol?
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 79360631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).