(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol

C17H18FNO — CID 103784055

IUPAC(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
SMILESOC[C@@H](NC1CCc2c(F)cccc21)c1ccccc1
InChIInChI=1S/C17H18FNO/c18-15-8-4-7-14-13(15)9-10-16(14)19-17(11-20)12-5-2-1-3-6-12/h1-8,16-17,19-20H,9-11H2/t16?,17-/m1/s1
InChIKeyBDZVLOYNOYAXLG-ZYMOGRSISA-N
MW271.34 g/mol
LogP3.14
Rot. Bonds4

About (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol

(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol (PubChem CID 103784055) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
PubChem CID103784055
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
SMILESOC[C@@H](NC1CCc2c(F)cccc21)c1ccccc1
InChIInChI=1S/C17H18FNO/c18-15-8-4-7-14-13(15)9-10-16(14)19-17(11-20)12-5-2-1-3-6-12/h1-8,16-17,19-20H,9-11H2/t16?,17-/m1/s1
InChIKeyBDZVLOYNOYAXLG-ZYMOGRSISA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol (CID 103784055) is (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol is OC[C@@H](NC1CCc2c(F)cccc21)c1ccccc1.
What is the InChIKey of (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
The InChIKey is BDZVLOYNOYAXLG-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-8-4-7-14-13(15)9-10-16(14)19-17(11-20)12-5-2-1-3-6-12/h1-8,16-17,19-20H,9-11H2/t16?,17-/m1/s1.
What are the key properties of (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol?
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol has a molecular weight of 271.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol is sourced from PubChem (CID 103784055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).