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

C17H18FNO — CID 59582063

IUPAC(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCN[C@@H]1c2ccccc2[C@H](Cc2cccc(F)c2)C1O
InChIInChI=1S/C17H18FNO/c1-19-16-14-8-3-2-7-13(14)15(17(16)20)10-11-5-4-6-12(18)9-11/h2-9,15-17,19-20H,10H2,1H3/t15-,16+,17?/m0/s1
InChIKeyHPHFVHSIKRFFHI-RTKIROINSA-N
MW271.33 g/mol
LogP2.79
Rot. Bonds3

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

(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 59582063) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID59582063
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCN[C@@H]1c2ccccc2[C@H](Cc2cccc(F)c2)C1O
InChIInChI=1S/C17H18FNO/c1-19-16-14-8-3-2-7-13(14)15(17(16)20)10-11-5-4-6-12(18)9-11/h2-9,15-17,19-20H,10H2,1H3/t15-,16+,17?/m0/s1
InChIKeyHPHFVHSIKRFFHI-RTKIROINSA-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 ≤ 500271.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
(2R)-2-(9H-fluoren-9-ylamino)butan-1-ol
CID 28723501
rel-(2R,3R)-3-[(2-methoxyethyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28957610
(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29001303
rel-(2R,3R)-3-{methyl[3-(1-pyrrolidinyl)propyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 29256289
rel-(2R,3R)-3-[4-(3-methoxypropyl)-1-piperidinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 30897264
(2R*,3R*)-3-{methyl[2-(tetrahydro-2H-pyran-4-yl)ethyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 31075150
rel-(2R,3R)-3-[(3-methoxypropyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31161860
rel-(2R,3R)-3-[4-(2-methoxyethyl)-1-piperidinyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31223744
US12492163, Name (14)
CID 166858284
(1S,2R)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155820296
(1R,2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol hydrochloride
CID 155858608

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol (CID 59582063) is (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol is CN[C@@H]1c2ccccc2[C@H](Cc2cccc(F)c2)C1O.
What is the InChIKey of (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HPHFVHSIKRFFHI-RTKIROINSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-16-14-8-3-2-7-13(14)15(17(16)20)10-11-5-4-6-12(18)9-11/h2-9,15-17,19-20H,10H2,1H3/t15-,16+,17?/m0/s1.
What are the key properties of (1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol?
(1S,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 271.33 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,3R)-1-[(3-fluorophenyl)methyl]-3-(methylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 59582063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).