1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol

C11H16ClNO3 — CID 171859154

IUPAC1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1c(Cl)cccc1OC
InChIInChI=1S/C11H16ClNO3/c1-13-6-8(14)11(15)10-7(12)4-3-5-9(10)16-2/h3-5,8,11,13-15H,6H2,1-2H3
InChIKeyWBEWLIATBHMPOQ-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.96
Rot. Bonds5

About 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol

1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859154) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859154
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1c(Cl)cccc1OC
InChIInChI=1S/C11H16ClNO3/c1-13-6-8(14)11(15)10-7(12)4-3-5-9(10)16-2/h3-5,8,11,13-15H,6H2,1-2H3
InChIKeyWBEWLIATBHMPOQ-UHFFFAOYSA-N
XLogP0.96
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

S-[3-(2-chloro-6-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823155
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
CID 171859145
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
3-(methylamino)-1-(2,3,6-trichlorophenyl)propane-1,2-diol
CID 171859151
1-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859245
2-[1,2-dihydroxy-3-(methylamino)propyl]-6-methoxybenzoic acid
CID 171858557
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 104818478
4-(2-chloro-6-methoxyphenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 104817908
1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859193

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol (CID 171859154) is 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1c(Cl)cccc1OC.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is WBEWLIATBHMPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-13-6-8(14)11(15)10-7(12)4-3-5-9(10)16-2/h3-5,8,11,13-15H,6H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol?
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 245.71 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).