2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol

C11H15Cl2NO2 — CID 116835544

IUPAC2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNCC(CO)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-14-5-7(6-15)8-3-4-9(16-2)11(13)10(8)12/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyYYUQCACXRMXOPG-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.30
Rot. Bonds5

About 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol

2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol (PubChem CID 116835544) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
PubChem CID116835544
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCNCC(CO)c1ccc(OC)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO2/c1-14-5-7(6-15)8-3-4-9(16-2)11(13)10(8)12/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyYYUQCACXRMXOPG-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-3-(methylamino)propan-1-ol
CID 117243856
2-(2,3-dichloro-4-methoxyphenyl)-2-(ethylamino)ethanol
CID 116859359
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
2-(2,3-dichloro-4-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830702
1-(2,3-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 116932842
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
3-(methylamino)-2-(2,4,5-trimethylphenyl)propan-1-ol
CID 116835502
N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
CID 115226587
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-ol
CID 116930825
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
CID 116830340

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol (CID 116835544) is 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol is CNCC(CO)c1ccc(OC)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is YYUQCACXRMXOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-14-5-7(6-15)8-3-4-9(16-2)11(13)10(8)12/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol?
2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 264.15 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-methoxyphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 116835544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).