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

C11H15BrClNO2 — CID 83231093

IUPAC3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO2/c1-11(16,7-15)6-14-5-8-2-3-10(13)9(12)4-8/h2-4,14-16H,5-7H2,1H3
InChIKeyRVDXYPAJYFFUPU-UHFFFAOYSA-N
MW308.60 g/mol
LogP1.94
Rot. Bonds5

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

3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 83231093) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
PubChem CID83231093
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H15BrClNO2/c1-11(16,7-15)6-14-5-8-2-3-10(13)9(12)4-8/h2-4,14-16H,5-7H2,1H3
InChIKeyRVDXYPAJYFFUPU-UHFFFAOYSA-N
XLogP1.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-chlorophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 83230108
3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170447
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
N-[(3-bromo-4-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83230110
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106180583
3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168561
1-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-2-ol
CID 113344535
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251907
N-[(3-bromo-4-chlorophenyl)methyl]but-2-yn-1-amine
CID 115908797

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol (CID 83231093) is 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is RVDXYPAJYFFUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2/c1-11(16,7-15)6-14-5-8-2-3-10(13)9(12)4-8/h2-4,14-16H,5-7H2,1H3.
What are the key properties of 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol?
3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 308.60 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 83231093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).