1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol

C17H18FNO — CID 116530980

IUPAC1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccccc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C17H18FNO/c1-11(20)14-4-2-3-5-16(14)19-17-9-6-12-10-13(18)7-8-15(12)17/h2-5,7-8,10-11,17,19-20H,6,9H2,1H3
InChIKeySDLQLJGKABKAIU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol

1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol (PubChem CID 116530980) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
PubChem CID116530980
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
SMILESCC(O)c1ccccc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C17H18FNO/c1-11(20)14-4-2-3-5-16(14)19-17-9-6-12-10-13(18)7-8-15(12)17/h2-5,7-8,10-11,17,19-20H,6,9H2,1H3
InChIKeySDLQLJGKABKAIU-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530861
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
1-[2,6-di(propan-2-yl)phenyl]-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 97018870
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531137
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530961
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol (CID 116530980) is 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol is CC(O)c1ccccc1NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol?
The InChIKey is SDLQLJGKABKAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11(20)14-4-2-3-5-16(14)19-17-9-6-12-10-13(18)7-8-15(12)17/h2-5,7-8,10-11,17,19-20H,6,9H2,1H3.
What are the key properties of 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol?
1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol has a molecular weight of 271.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol is sourced from PubChem (CID 116530980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).