(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol

C10H13NO — CID 129390412

IUPAC(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCN[C@H]1CCc2cccc(O)c21
InChIInChI=1S/C10H13NO/c1-11-8-6-5-7-3-2-4-9(12)10(7)8/h2-4,8,11-12H,5-6H2,1H3/t8-/m0/s1
InChIKeyIQKACIYAXCLCEN-QMMMGPOBSA-N
MW163.22 g/mol
LogP1.60
Rot. Bonds1

About (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol

(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 129390412) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID129390412
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCN[C@H]1CCc2cccc(O)c21
InChIInChI=1S/C10H13NO/c1-11-8-6-5-7-3-2-4-9(12)10(7)8/h2-4,8,11-12H,5-6H2,1H3/t8-/m0/s1
InChIKeyIQKACIYAXCLCEN-QMMMGPOBSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
8-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445416
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
(1S)-8-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 142637843
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
8-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 18366451
8-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105445428
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
2,2-difluoro-2-(7-hydroxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 105485221

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol (CID 129390412) is (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol is CN[C@H]1CCc2cccc(O)c21.
What is the InChIKey of (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is IQKACIYAXCLCEN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-8-6-5-7-3-2-4-9(12)10(7)8/h2-4,8,11-12H,5-6H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol?
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 163.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 129390412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).