1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol

C18H20FNO2 — CID 75437455

IUPAC1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
SMILESOCC1(NCC(O)c2ccccc2F)CCc2ccccc21
InChIInChI=1S/C18H20FNO2/c19-16-8-4-2-6-14(16)17(22)11-20-18(12-21)10-9-13-5-1-3-7-15(13)18/h1-8,17,20-22H,9-12H2
InChIKeyRJXKXSNGHTXWMQ-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol

1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol (PubChem CID 75437455) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
PubChem CID75437455
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
SMILESOCC1(NCC(O)c2ccccc2F)CCc2ccccc21
InChIInChI=1S/C18H20FNO2/c19-16-8-4-2-6-14(16)17(22)11-20-18(12-21)10-9-13-5-1-3-7-15(13)18/h1-8,17,20-22H,9-12H2
InChIKeyRJXKXSNGHTXWMQ-UHFFFAOYSA-N
XLogP2.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
CID 75514600
[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
CID 61050687
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-(2-fluorophenyl)ethanol
CID 66395809
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol
CID 146139702
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol (CID 75437455) is 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol is OCC1(NCC(O)c2ccccc2F)CCc2ccccc21.
What is the InChIKey of 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
The InChIKey is RJXKXSNGHTXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-16-8-4-2-6-14(16)17(22)11-20-18(12-21)10-9-13-5-1-3-7-15(13)18/h1-8,17,20-22H,9-12H2.
What are the key properties of 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol has a molecular weight of 301.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol is sourced from PubChem (CID 75437455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).