1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol

C10H13ClFNO — CID 84785778

IUPAC1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(F)ccc(Cl)c1C
InChIInChI=1S/C10H13ClFNO/c1-6-7(11)3-4-8(12)10(6)9(14)5-13-2/h3-4,9,13-14H,5H2,1-2H3
InChIKeyXOMWIJPMAWGPME-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.04
Rot. Bonds3

About 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol

1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol (PubChem CID 84785778) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
PubChem CID84785778
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c(F)ccc(Cl)c1C
InChIInChI=1S/C10H13ClFNO/c1-6-7(11)3-4-8(12)10(6)9(14)5-13-2/h3-4,9,13-14H,5H2,1-2H3
InChIKeyXOMWIJPMAWGPME-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-chloro-6-fluoro-2-methylphenyl)ethanol
CID 84777619
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
CID 117293115
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(3-chloro-5-methyl-4-pyridinyl)-2-(methylamino)ethanol
CID 84669768
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(3,5-dichloro-4-pyridinyl)-2-(methylamino)ethanol
CID 84686359
1-(3-chloro-6-fluoro-2-methylphenyl)-N-methylmethanamine
CID 84770592
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol (CID 84785778) is 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1c(F)ccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is XOMWIJPMAWGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6-7(11)3-4-8(12)10(6)9(14)5-13-2/h3-4,9,13-14H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol?
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 217.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84785778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).