[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol

C16H16FNO — CID 166257830

IUPAC[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol
SMILESNC1Cc2ccc(-c3cc(F)ccc3CO)cc2C1
InChIInChI=1S/C16H16FNO/c17-14-4-3-12(9-19)16(8-14)11-2-1-10-6-15(18)7-13(10)5-11/h1-5,8,15,19H,6-7,9,18H2
InChIKeyPOOWVVRZVOLPBI-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.41
Rot. Bonds2

About [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol

[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol (PubChem CID 166257830) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol
PubChem CID166257830
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol
SMILESNC1Cc2ccc(-c3cc(F)ccc3CO)cc2C1
InChIInChI=1S/C16H16FNO/c17-14-4-3-12(9-19)16(8-14)11-2-1-10-6-15(18)7-13(10)5-11/h1-5,8,15,19H,6-7,9,18H2
InChIKeyPOOWVVRZVOLPBI-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol?
The IUPAC name of [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol (CID 166257830) is [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol.
What is the SMILES notation for [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol?
The canonical SMILES for [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol is NC1Cc2ccc(-c3cc(F)ccc3CO)cc2C1.
What is the InChIKey of [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol?
The InChIKey is POOWVVRZVOLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-4-3-12(9-19)16(8-14)11-2-1-10-6-15(18)7-13(10)5-11/h1-5,8,15,19H,6-7,9,18H2.
What are the key properties of [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol?
[2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol has a molecular weight of 257.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methanol is sourced from PubChem (CID 166257830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).