2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol

C10H14FNO — CID 84769063

IUPAC2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN)cc1F
InChIInChI=1S/C10H14FNO/c1-6-3-7(2)9(11)4-8(6)10(13)5-12/h3-4,10,13H,5,12H2,1-2H3
InChIKeyWDMINLGHWQLYML-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.43
Rot. Bonds2

About 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol

2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol (PubChem CID 84769063) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
PubChem CID84769063
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN)cc1F
InChIInChI=1S/C10H14FNO/c1-6-3-7(2)9(11)4-8(6)10(13)5-12/h3-4,10,13H,5,12H2,1-2H3
InChIKeyWDMINLGHWQLYML-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
2-amino-1-(2,3,4,5-tetramethylphenyl)ethanol
CID 117284183
2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
(1S)-1-(2-amino-4-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 130739605
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol (CID 84769063) is 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol is Cc1cc(C)c(C(O)CN)cc1F.
What is the InChIKey of 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol?
The InChIKey is WDMINLGHWQLYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-3-7(2)9(11)4-8(6)10(13)5-12/h3-4,10,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol?
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol has a molecular weight of 183.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 84769063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).