3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol

C11H15ClFNO2 — CID 114452969

IUPAC3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNO2/c1-11(16,7-15)6-14-5-8-2-9(12)4-10(13)3-8/h2-4,14-16H,5-7H2,1H3
InChIKeyYFRAFWIYMNUAGY-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.31
Rot. Bonds5

About 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol

3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 114452969) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
PubChem CID114452969
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNO2/c1-11(16,7-15)6-14-5-8-2-9(12)4-10(13)3-8/h2-4,14-16H,5-7H2,1H3
InChIKeyYFRAFWIYMNUAGY-UHFFFAOYSA-N
XLogP1.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170453
3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170447
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
3-[(3-bromo-4-chlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 83231093
3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methylpropane-1,2-diol
CID 66170058
tert-butyl N-[2-[(3-chloro-5-fluorophenyl)methylamino]ethyl]carbamate
CID 104938096
3-chloro-N-[(3,5-difluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105409055
2-methyl-3-[(4-methylsulfanylphenyl)methylamino]propane-1,2-diol
CID 66171306
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
3-[[(3-chloro-5-fluorophenyl)methylamino]methyl]hexan-1-ol
CID 104938136
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
tert-butyl N-[(E)-4-[(3-chloro-5-fluorophenyl)methylamino]but-2-enyl]carbamate
CID 107253317

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol (CID 114452969) is 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is YFRAFWIYMNUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-11(16,7-15)6-14-5-8-2-9(12)4-10(13)3-8/h2-4,14-16H,5-7H2,1H3.
What are the key properties of 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol?
3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 247.70 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 114452969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).