1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol

C10H12FNO — CID 83906486

IUPAC1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESNCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2
InChIKeyXDGGHCFIHUIYGR-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.92
Rot. Bonds1

About 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol

1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83906486) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID83906486
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESNCC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2
InChIKeyXDGGHCFIHUIYGR-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12362998
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9-(1-Aminopropan-2-yl)-9H-fluoren-9-ol--hydrogen chloride (1/1)
CID 27024
(1R,2R)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 10898857
1-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 14348695
1-Amino-2-(4-fluorophenyl)propan-2-ol
CID 24271637
Dietor
CID 65623
2-Aminoindan-1-ol
CID 85794
1-Amino-2-phenylbutan-2-ol
CID 17831
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081
1-(Aminomethyl)-5-bromo-2,3-dihydro-1h-inden-1-ol
CID 57419481
1-Amino-2-(3-fluorophenyl)propan-2-ol
CID 62774359

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol (CID 83906486) is 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol is NCC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is XDGGHCFIHUIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2.
What are the key properties of 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol?
1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 181.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83906486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).