3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol

C14H24N2O3 — CID 116911728

IUPAC3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
SMILESCOc1cc(C)c(C(C(O)CN)N(C)C)cc1OC
InChIInChI=1S/C14H24N2O3/c1-9-6-12(18-4)13(19-5)7-10(9)14(16(2)3)11(17)8-15/h6-7,11,14,17H,8,15H2,1-5H3
InChIKeyDGYDGJDJJOLZOC-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds6

About 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol

3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol (PubChem CID 116911728) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
PubChem CID116911728
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
SMILESCOc1cc(C)c(C(C(O)CN)N(C)C)cc1OC
InChIInChI=1S/C14H24N2O3/c1-9-6-12(18-4)13(19-5)7-10(9)14(16(2)3)11(17)8-15/h6-7,11,14,17H,8,15H2,1-5H3
InChIKeyDGYDGJDJJOLZOC-UHFFFAOYSA-N
XLogP0.93
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
3-amino-1-(dimethylamino)-1-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116911721
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
CID 116835628
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-one
CID 116859967
3-amino-3-(4,5-dimethoxy-2-methylphenyl)-N-methylpropanehydrazide
CID 116849248

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol (CID 116911728) is 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol is COc1cc(C)c(C(C(O)CN)N(C)C)cc1OC.
What is the InChIKey of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol?
The InChIKey is DGYDGJDJJOLZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-6-12(18-4)13(19-5)7-10(9)14(16(2)3)11(17)8-15/h6-7,11,14,17H,8,15H2,1-5H3.
What are the key properties of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol?
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol is sourced from PubChem (CID 116911728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).