3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol

C11H15Cl2NO2 — CID 66170447

IUPAC3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c1-11(16,7-15)6-14-5-8-2-3-9(12)10(13)4-8/h2-4,14-16H,5-7H2,1H3
InChIKeyLNXSHDKCXYZUFB-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.83
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol

3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66170447) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66170447
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c1-11(16,7-15)6-14-5-8-2-3-9(12)10(13)4-8/h2-4,14-16H,5-7H2,1H3
InChIKeyLNXSHDKCXYZUFB-UHFFFAOYSA-N
XLogP1.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 83231093
3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
1-[(3,4-dichlorophenyl)methylamino]-3-methylpentan-3-ol
CID 138516209
3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168561
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methylpropane-1,2-diol
CID 66170058
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylpropane-1,2-diol
CID 66169664
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 66170449
3-[(3-bromo-4-chlorophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 83230108
3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 114452969

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol (CID 66170447) is 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is LNXSHDKCXYZUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-11(16,7-15)6-14-5-8-2-3-9(12)10(13)4-8/h2-4,14-16H,5-7H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol?
3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 264.15 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66170447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).