2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol

C12H15FN2O — CID 82494429

IUPAC2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
SMILESCc1c(C(O)CN)c2cccc(F)c2n1C
InChIInChI=1S/C12H15FN2O/c1-7-11(10(16)6-14)8-4-3-5-9(13)12(8)15(7)2/h3-5,10,16H,6,14H2,1-2H3
InChIKeyGDPWCEAKOBABGD-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol

2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol (PubChem CID 82494429) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
PubChem CID82494429
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
SMILESCc1c(C(O)CN)c2cccc(F)c2n1C
InChIInChI=1S/C12H15FN2O/c1-7-11(10(16)6-14)8-4-3-5-9(13)12(8)15(7)2/h3-5,10,16H,6,14H2,1-2H3
InChIKeyGDPWCEAKOBABGD-UHFFFAOYSA-N
XLogP1.62
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol
CID 82498764
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
3-methyl-2-(1,2,7-trimethylindol-3-yl)butan-1-amine
CID 82497735
2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
N-[2-(7-fluoro-1,2-dimethylindol-3-yl)ethyl]propan-2-amine
CID 82498818
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326
2-(ethylamino)-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanone
CID 82498702
1-(7-ethyl-1,2-dimethylindol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 82500433

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol (CID 82494429) is 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol is Cc1c(C(O)CN)c2cccc(F)c2n1C.
What is the InChIKey of 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol?
The InChIKey is GDPWCEAKOBABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-7-11(10(16)6-14)8-4-3-5-9(13)12(8)15(7)2/h3-5,10,16H,6,14H2,1-2H3.
What are the key properties of 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol?
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol has a molecular weight of 222.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol is sourced from PubChem (CID 82494429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).