3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol

C16H15F2NO — CID 107089587

IUPAC3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C16H15F2NO/c17-13-6-3-7-14(18)11(13)8-16(20)9-15(19)10-4-1-2-5-12(10)16/h1-7,15,20H,8-9,19H2
InChIKeyXJMBKSMIKKTOSR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.80
Rot. Bonds2

About 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089587) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089587
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2c(F)cccc2F)c2ccccc21
InChIInChI=1S/C16H15F2NO/c17-13-6-3-7-14(18)11(13)8-16(20)9-15(19)10-4-1-2-5-12(10)16/h1-7,15,20H,8-9,19H2
InChIKeyXJMBKSMIKKTOSR-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
1-Indanol, 2-(alpha-aminobenzyl)-, hydrochloride, cis-(+-)-
CID 213905
Brn 2140139
CID 215778
4-(Aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492472
1-(aminomethyl)-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 55268800
1-(aminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 83906486
rac-(1R,3S)-3-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 154878828
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
9-(1-Aminopropan-2-yl)fluoren-9-ol
CID 27025
5-Fluoro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-ol
CID 20463007
(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 58426091

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089587) is 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol is NC1CC(O)(Cc2c(F)cccc2F)c2ccccc21.
What is the InChIKey of 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is XJMBKSMIKKTOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-13-6-3-7-14(18)11(13)8-16(20)9-15(19)10-4-1-2-5-12(10)16/h1-7,15,20H,8-9,19H2.
What are the key properties of 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 275.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).