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

C13H22N2O3 — CID 116957681

IUPAC3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1cc(OC)c(OC)cc1C)C(O)CN
InChIInChI=1S/C13H22N2O3/c1-8-5-11(17-3)12(18-4)6-9(8)13(15-2)10(16)7-14/h5-6,10,13,15-16H,7,14H2,1-4H3
InChIKeyIZTDTUGQDMXMLW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.59
Rot. Bonds6

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

3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116957681) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
PubChem CID116957681
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1cc(OC)c(OC)cc1C)C(O)CN
InChIInChI=1S/C13H22N2O3/c1-8-5-11(17-3)12(18-4)6-9(8)13(15-2)10(16)7-14/h5-6,10,13,15-16H,7,14H2,1-4H3
InChIKeyIZTDTUGQDMXMLW-UHFFFAOYSA-N
XLogP0.59
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
CID 116835628
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-3-(methylamino)propanoic acid
CID 116957354
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol (CID 116957681) is 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol is CNC(c1cc(OC)c(OC)cc1C)C(O)CN.
What is the InChIKey of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is IZTDTUGQDMXMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-5-11(17-3)12(18-4)6-9(8)13(15-2)10(16)7-14/h5-6,10,13,15-16H,7,14H2,1-4H3.
What are the key properties of 3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol?
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 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-(methylamino)propan-2-ol is sourced from PubChem (CID 116957681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).