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

C15H26N2O2 — CID 116911721

IUPAC3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(C(C)C)ccc1C(C(O)CN)N(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)11-6-7-12(14(8-11)19-5)15(17(3)4)13(18)9-16/h6-8,10,13,15,18H,9,16H2,1-5H3
InChIKeyXEVMJUKLAHXSDG-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.74
Rot. Bonds6

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

3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol (PubChem CID 116911721) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
PubChem CID116911721
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCOc1cc(C(C)C)ccc1C(C(O)CN)N(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)11-6-7-12(14(8-11)19-5)15(17(3)4)13(18)9-16/h6-8,10,13,15,18H,9,16H2,1-5H3
InChIKeyXEVMJUKLAHXSDG-UHFFFAOYSA-N
XLogP1.74
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
1-(2-methoxy-4-propan-2-ylphenyl)ethanol
CID 83531211
2-(dimethylamino)-2-(2-methoxy-4-propan-2-ylphenyl)acetic acid
CID 82481256
3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116909931
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
2-(2-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 82297509
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
1-amino-3-(2-methoxy-4-methylphenyl)butan-2-ol
CID 83909356

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol (CID 116911721) is 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol is COc1cc(C(C)C)ccc1C(C(O)CN)N(C)C.
What is the InChIKey of 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is XEVMJUKLAHXSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)11-6-7-12(14(8-11)19-5)15(17(3)4)13(18)9-16/h6-8,10,13,15,18H,9,16H2,1-5H3.
What are the key properties of 3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol?
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.74, 6 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-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 116911721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).