3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol

C16H15F2NO — CID 107089846

IUPAC3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C16H15F2NO/c17-11-5-10(6-12(18)7-11)8-16(20)9-15(19)13-3-1-2-4-14(13)16/h1-7,15,20H,8-9,19H2
InChIKeySSJHWNLYNARGIB-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.80
Rot. Bonds2

About 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089846) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089846
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C16H15F2NO/c17-11-5-10(6-12(18)7-11)8-16(20)9-15(19)13-3-1-2-4-14(13)16/h1-7,15,20H,8-9,19H2
InChIKeySSJHWNLYNARGIB-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-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 107089566
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
3-amino-1-(4,4-dimethylpentyl)-2,3-dihydroinden-1-ol
CID 114209780
3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
CID 107089609
3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 107089736
3-amino-1-(2,6-difluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089749
3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107128224
9H-fluoren-9-ylmethyl 3-[(3,5-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171961708
3-[(3,5-difluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 105411193
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
CID 107089509
spiro[1,2-dihydroindene-3,1'-cyclohexane]-1-amine;hydrochloride
CID 170897096
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 107089666

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089846) is 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol is NC1CC(O)(Cc2cc(F)cc(F)c2)c2ccccc21.
What is the InChIKey of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is SSJHWNLYNARGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-11-5-10(6-12(18)7-11)8-16(20)9-15(19)13-3-1-2-4-14(13)16/h1-7,15,20H,8-9,19H2.
What are the key properties of 3-amino-1-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(3,5-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-[(3,5-difluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).