1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol

C11H15ClFNO — CID 117335550

IUPAC1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)c(C)cc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-6-4-8(12)11(13)10(7(6)2)9(15)5-14-3/h4,9,14-15H,5H2,1-3H3
InChIKeyZPWWUPKGLQEHME-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.35
Rot. Bonds3

About 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol

1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol (PubChem CID 117335550) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
PubChem CID117335550
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(C)c(C)cc(Cl)c1F
InChIInChI=1S/C11H15ClFNO/c1-6-4-8(12)11(13)10(7(6)2)9(15)5-14-3/h4,9,14-15H,5H2,1-3H3
InChIKeyZPWWUPKGLQEHME-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol 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

1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
3-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-5-methylbenzene-1,2-diol
CID 117335501
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol (CID 117335550) is 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol is CNCC(O)c1c(C)c(C)cc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol?
The InChIKey is ZPWWUPKGLQEHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-6-4-8(12)11(13)10(7(6)2)9(15)5-14-3/h4,9,14-15H,5H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol?
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol has a molecular weight of 231.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117335550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).