3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol

C16H15F2NO — CID 107089749

IUPAC3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)c(C2(O)CC(N)c3ccccc32)c1F
InChIInChI=1S/C16H15F2NO/c1-9-6-7-12(17)14(15(9)18)16(20)8-13(19)10-4-2-3-5-11(10)16/h2-7,13,20H,8,19H2,1H3
InChIKeyXCTNGABHGTUARR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.91
Rot. Bonds1

About 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol

3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 107089749) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID107089749
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)c(C2(O)CC(N)c3ccccc32)c1F
InChIInChI=1S/C16H15F2NO/c1-9-6-7-12(17)14(15(9)18)16(20)8-13(19)10-4-2-3-5-11(10)16/h2-7,13,20H,8,19H2,1H3
InChIKeyXCTNGABHGTUARR-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107128224
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 107089666
1-(2,6-difluoro-3-methylphenyl)-2-methylcyclopropan-1-ol
CID 82815611
3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089821
1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
CID 82820086
3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089846
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol
CID 82820329
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
3-amino-1-(1H-indol-5-yl)-2,3-dihydroinden-1-ol
CID 107089694
3-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 107089566

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol (CID 107089749) is 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol is Cc1ccc(F)c(C2(O)CC(N)c3ccccc32)c1F.
What is the InChIKey of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is XCTNGABHGTUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-9-6-7-12(17)14(15(9)18)16(20)8-13(19)10-4-2-3-5-11(10)16/h2-7,13,20H,8,19H2,1H3.
What are the key properties of 3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 275.30 g/mol, XLogP of 2.91, 1 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-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).