4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol

C13H22N2O2 — CID 79588662

IUPAC4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
SMILESCN(C)c1ccc(N)c(OCCC(C)(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-13(2,16)7-8-17-12-9-10(15(3)4)5-6-11(12)14/h5-6,9,16H,7-8,14H2,1-4H3
InChIKeyHLFHGQAXIKMKAR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds5

About 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol

4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol (PubChem CID 79588662) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
PubChem CID79588662
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
SMILESCN(C)c1ccc(N)c(OCCC(C)(C)O)c1
InChIInChI=1S/C13H22N2O2/c1-13(2,16)7-8-17-12-9-10(15(3)4)5-6-11(12)14/h5-6,9,16H,7-8,14H2,1-4H3
InChIKeyHLFHGQAXIKMKAR-UHFFFAOYSA-N
XLogP1.87
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
4-N,4-N-dimethyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene-1,4-diamine
CID 116614847
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588821
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
CID 106721717
4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
CID 79589419
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
2-[2,5-diamino-4-(2-hydroxyethoxy)phenoxy]ethanol;prop-1-en-2-amine;4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 171502663

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol (CID 79588662) is 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol is CN(C)c1ccc(N)c(OCCC(C)(C)O)c1.
What is the InChIKey of 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol?
The InChIKey is HLFHGQAXIKMKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,16)7-8-17-12-9-10(15(3)4)5-6-11(12)14/h5-6,9,16H,7-8,14H2,1-4H3.
What are the key properties of 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol?
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79588662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).