3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol

C13H22N2O2 — CID 116911674

IUPAC3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
SMILESCOc1ccc(C(C(O)CN)N(C)C)cc1C
InChIInChI=1S/C13H22N2O2/c1-9-7-10(5-6-12(9)17-4)13(15(2)3)11(16)8-14/h5-7,11,13,16H,8,14H2,1-4H3
InChIKeyLBKKISWCFFRFBQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds5

About 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol

3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol (PubChem CID 116911674) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
PubChem CID116911674
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
SMILESCOc1ccc(C(C(O)CN)N(C)C)cc1C
InChIInChI=1S/C13H22N2O2/c1-9-7-10(5-6-12(9)17-4)13(15(2)3)11(16)8-14/h5-7,11,13,16H,8,14H2,1-4H3
InChIKeyLBKKISWCFFRFBQ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
2-amino-3-(dimethylamino)-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 116911440
3-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 22339839
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827972

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol (CID 116911674) is 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol is COc1ccc(C(C(O)CN)N(C)C)cc1C.
What is the InChIKey of 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol?
The InChIKey is LBKKISWCFFRFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-7-10(5-6-12(9)17-4)13(15(2)3)11(16)8-14/h5-7,11,13,16H,8,14H2,1-4H3.
What are the key properties of 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol?
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 116911674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).