1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol

C10H13ClFNO — CID 84683301

IUPAC1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(C)cc1F
InChIInChI=1S/C10H13ClFNO/c1-6-3-9(12)7(4-8(6)11)10(14)5-13-2/h3-4,10,13-14H,5H2,1-2H3
InChIKeyUQKXNELPESUQNT-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.04
Rot. Bonds3

About 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol

1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol (PubChem CID 84683301) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
PubChem CID84683301
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)c(C)cc1F
InChIInChI=1S/C10H13ClFNO/c1-6-3-9(12)7(4-8(6)11)10(14)5-13-2/h3-4,10,13-14H,5H2,1-2H3
InChIKeyUQKXNELPESUQNT-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

1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
4-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-2-methylbenzoic acid
CID 117326537
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
5-bromo-4-chloro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84811957
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-4-methylbenzoic acid
CID 117326538
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol (CID 84683301) is 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)c(C)cc1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is UQKXNELPESUQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6-3-9(12)7(4-8(6)11)10(14)5-13-2/h3-4,10,13-14H,5H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol?
1-(5-chloro-2-fluoro-4-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-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84683301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).