(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol

C13H19NO — CID 103880518

IUPAC(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H19NO/c1-9(2)8-14-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyFOSZLTDGKIPYFC-QWHCGFSZSA-N
MW205.30 g/mol
LogP1.89
Rot. Bonds3

About (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 103880518) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID103880518
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H19NO/c1-9(2)8-14-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyFOSZLTDGKIPYFC-QWHCGFSZSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]amino]-2,3-dihydro-1H-inden-2-ol
CID 138052858
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
(1R,2S)-1-(2-ethylsulfanylethylamino)-2,3-dihydro-1H-inden-2-ol
CID 75457077
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463114
N-(2-methylpropyl)-9,10-dihydroanthracen-9-amine
CID 62919912
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol (CID 103880518) is (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol is CC(C)CN[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FOSZLTDGKIPYFC-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)8-14-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,9,12-15H,7-8H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 103880518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).