2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol

C9H11ClFNO — CID 84671959

IUPAC2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
SMILESCc1cc(C(O)CN)cc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c1-5-2-6(8(13)4-12)3-7(10)9(5)11/h2-3,8,13H,4,12H2,1H3
InChIKeyQNFOYZGFQSQNTO-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.78
Rot. Bonds2

About 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol

2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol (PubChem CID 84671959) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
PubChem CID84671959
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
SMILESCc1cc(C(O)CN)cc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c1-5-2-6(8(13)4-12)3-7(10)9(5)11/h2-3,8,13H,4,12H2,1H3
InChIKeyQNFOYZGFQSQNTO-UHFFFAOYSA-N
XLogP1.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
2-amino-1-(4-chloro-3,5-dimethylphenyl)ethanol
CID 84775613
3-amino-2-(3-chloro-4-fluoro-5-methylphenyl)propanoic acid
CID 84695104
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
CID 117339623
(1R)-2-amino-1-(3-chloro-4-methylsulfanylphenyl)ethanol
CID 54071116
2-amino-1-(4-chloro-2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 22021331
(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
CID 54051332
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780
ethyl 2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetate
CID 117420956
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol (CID 84671959) is 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol is Cc1cc(C(O)CN)cc(Cl)c1F.
What is the InChIKey of 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol?
The InChIKey is QNFOYZGFQSQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5-2-6(8(13)4-12)3-7(10)9(5)11/h2-3,8,13H,4,12H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol?
2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol has a molecular weight of 203.64 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 84671959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).