(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol

C17H18FNO — CID 59581942

IUPAC(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCN[C@H]1c2ccccc2[C@H](Cc2ccc(F)cc2)C1O
InChIInChI=1S/C17H18FNO/c1-19-16-14-5-3-2-4-13(14)15(17(16)20)10-11-6-8-12(18)9-7-11/h2-9,15-17,19-20H,10H2,1H3/t15-,16-,17?/m0/s1
InChIKeyGGZGSLPDKJUQGY-PYNWJHIZSA-N
MW271.34 g/mol
LogP2.79
Rot. Bonds3

About (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol

(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 59581942) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID59581942
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCN[C@H]1c2ccccc2[C@H](Cc2ccc(F)cc2)C1O
InChIInChI=1S/C17H18FNO/c1-19-16-14-5-3-2-4-13(14)15(17(16)20)10-11-6-8-12(18)9-7-11/h2-9,15-17,19-20H,10H2,1H3/t15-,16-,17?/m0/s1
InChIKeyGGZGSLPDKJUQGY-PYNWJHIZSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol (CID 59581942) is (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol is CN[C@H]1c2ccccc2[C@H](Cc2ccc(F)cc2)C1O.
What is the InChIKey of (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is GGZGSLPDKJUQGY-PYNWJHIZSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-16-14-5-3-2-4-13(14)15(17(16)20)10-11-6-8-12(18)9-7-11/h2-9,15-17,19-20H,10H2,1H3/t15-,16-,17?/m0/s1.
What are the key properties of (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
(1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 271.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-[(4-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 59581942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).