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

C11H15ClFNO2 — CID 102609433

IUPAC2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO2/c1-11(6-15,7-16)14-5-8-4-9(13)2-3-10(8)12/h2-4,14-16H,5-7H2,1H3
InChIKeyFZBHOQIOFVPXRN-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.31
Rot. Bonds5

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

2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 102609433) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
PubChem CID102609433
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1cc(F)ccc1Cl
InChIInChI=1S/C11H15ClFNO2/c1-11(6-15,7-16)14-5-8-4-9(13)2-3-10(8)12/h2-4,14-16H,5-7H2,1H3
InChIKeyFZBHOQIOFVPXRN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dichlorophenyl)methylamino]-2-methylbutan-1-ol
CID 65317553
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
2-[(2-chloro-5-fluorophenyl)methylamino]propan-1-ol
CID 102615479
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
N-[(2-chloro-5-fluorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 102615967
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
(1S,2R,4S,5S)-6-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1,2,3,4,5-pentol
CID 102478597

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol (CID 102609433) is 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol is CC(CO)(CO)NCc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is FZBHOQIOFVPXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-11(6-15,7-16)14-5-8-4-9(13)2-3-10(8)12/h2-4,14-16H,5-7H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol?
2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-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 2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 102609433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).