2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol

C10H13ClFNO2 — CID 117339623

IUPAC2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1c(F)cc(C(O)CN)cc1Cl
InChIInChI=1S/C10H13ClFNO2/c1-15-5-7-8(11)2-6(3-9(7)12)10(14)4-13/h2-3,10,14H,4-5,13H2,1H3
InChIKeyMLTHUQLVXXJWQH-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol

2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol (PubChem CID 117339623) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
PubChem CID117339623
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
SMILESCOCc1c(F)cc(C(O)CN)cc1Cl
InChIInChI=1S/C10H13ClFNO2/c1-15-5-7-8(11)2-6(3-9(7)12)10(14)4-13/h2-3,10,14H,4-5,13H2,1H3
InChIKeyMLTHUQLVXXJWQH-UHFFFAOYSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117374799
3-amino-3-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 117408979
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
CID 84671959
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
2-[3-bromo-5-chloro-4-(methoxymethyl)phenyl]propan-1-amine
CID 117472556
2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117301771
(1R)-2-amino-1-(3-chloro-4-methylsulfanylphenyl)ethanol
CID 54071116
2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
CID 83894968
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol (CID 117339623) is 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol is COCc1c(F)cc(C(O)CN)cc1Cl.
What is the InChIKey of 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol?
The InChIKey is MLTHUQLVXXJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-15-5-7-8(11)2-6(3-9(7)12)10(14)4-13/h2-3,10,14H,4-5,13H2,1H3.
What are the key properties of 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol?
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol has a molecular weight of 233.67 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117339623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).