[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol

C17H17F2NO — CID 79123645

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)c(F)c2)CCc2ccccc21
InChIInChI=1S/C17H17F2NO/c18-14-6-5-12(9-15(14)19)16(21)17(10-20)8-7-11-3-1-2-4-13(11)17/h1-6,9,16,21H,7-8,10,20H2
InChIKeyHYISTHYXRYPLGR-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.84
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol (PubChem CID 79123645) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
PubChem CID79123645
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
SMILESNCC1(C(O)c2ccc(F)c(F)c2)CCc2ccccc21
InChIInChI=1S/C17H17F2NO/c18-14-6-5-12(9-15(14)19)16(21)17(10-20)8-7-11-3-1-2-4-13(11)17/h1-6,9,16,21H,7-8,10,20H2
InChIKeyHYISTHYXRYPLGR-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol (CID 79123645) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol is NCC1(C(O)c2ccc(F)c(F)c2)CCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol?
The InChIKey is HYISTHYXRYPLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-6-5-12(9-15(14)19)16(21)17(10-20)8-7-11-3-1-2-4-13(11)17/h1-6,9,16,21H,7-8,10,20H2.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol has a molecular weight of 289.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 79123645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).