3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol

C12H20N2O3 — CID 116957643

IUPAC3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(OC)cc1OC)C(O)CN
InChIInChI=1S/C12H20N2O3/c1-14-12(10(15)7-13)9-5-4-8(16-2)6-11(9)17-3/h4-6,10,12,14-15H,7,13H2,1-3H3
InChIKeyFOWYPNJXEVOFBZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.28
Rot. Bonds6

About 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol

3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116957643) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
PubChem CID116957643
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(OC)cc1OC)C(O)CN
InChIInChI=1S/C12H20N2O3/c1-14-12(10(15)7-13)9-5-4-8(16-2)6-11(9)17-3/h4-6,10,12,14-15H,7,13H2,1-3H3
InChIKeyFOWYPNJXEVOFBZ-UHFFFAOYSA-N
XLogP0.28
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol (CID 116957643) is 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol is CNC(c1ccc(OC)cc1OC)C(O)CN.
What is the InChIKey of 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is FOWYPNJXEVOFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14-12(10(15)7-13)9-5-4-8(16-2)6-11(9)17-3/h4-6,10,12,14-15H,7,13H2,1-3H3.
What are the key properties of 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116957643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).