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

C12H19NO3 — CID 116859416

IUPAC1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(OC)cc1OC)C(C)O
InChIInChI=1S/C12H19NO3/c1-8(14)12(13-2)10-6-5-9(15-3)7-11(10)16-4/h5-8,12-14H,1-4H3
InChIKeyLDNFUMCQSNYZLJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds5

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

1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116859416) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
PubChem CID116859416
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(OC)cc1OC)C(C)O
InChIInChI=1S/C12H19NO3/c1-8(14)12(13-2)10-6-5-9(15-3)7-11(10)16-4/h5-8,12-14H,1-4H3
InChIKeyLDNFUMCQSNYZLJ-UHFFFAOYSA-N
XLogP1.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
CID 79298936
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol (CID 116859416) is 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol is CNC(c1ccc(OC)cc1OC)C(C)O.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is LDNFUMCQSNYZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(14)12(13-2)10-6-5-9(15-3)7-11(10)16-4/h5-8,12-14H,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol?
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116859416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).