3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol

C15H13ClFNO — CID 107089748

IUPAC3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2ccc(Cl)cc2F)c2ccccc21
InChIInChI=1S/C15H13ClFNO/c16-9-5-6-12(13(17)7-9)15(19)8-14(18)10-3-1-2-4-11(10)15/h1-7,14,19H,8,18H2
InChIKeyPRBAYJCILDJNRM-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.12
Rot. Bonds1

About 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol

3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol (PubChem CID 107089748) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
PubChem CID107089748
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2ccc(Cl)cc2F)c2ccccc21
InChIInChI=1S/C15H13ClFNO/c16-9-5-6-12(13(17)7-9)15(19)8-14(18)10-3-1-2-4-11(10)15/h1-7,14,19H,8,18H2
InChIKeyPRBAYJCILDJNRM-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Indanol, 2-(alpha-amino-2,4-dichlorobenzyl)-, cis-(+-)-
CID 215779
1-Indanol, 2-(alpha-amino-p-chlorobenzyl)-, cis(+-)-
CID 215799
1-(3-Chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol
CID 70520913
3-Amino-1-(4-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 80562638
3-Amino-1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089507
3-Amino-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089511
3-Amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089512
3-Amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089519
3-Amino-1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089524
3-Amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 107089541
3-Amino-1-[(2,3-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089565
3-Amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol
CID 107089579

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol (CID 107089748) is 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol is NC1CC(O)(c2ccc(Cl)cc2F)c2ccccc21.
What is the InChIKey of 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
The InChIKey is PRBAYJCILDJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-9-5-6-12(13(17)7-9)15(19)8-14(18)10-3-1-2-4-11(10)15/h1-7,14,19H,8,18H2.
What are the key properties of 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol has a molecular weight of 277.73 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).