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

C13H19NO — CID 131856725

IUPAC(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
SMILESCCN(CC)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C13H19NO/c1-3-14(4-2)12-9-10-7-5-6-8-11(10)13(12)15/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13+/m1/s1
InChIKeyAENRGZKELHPZCY-OLZOCXBDSA-N
MW205.30 g/mol
LogP1.99
Rot. Bonds3

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

(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol (PubChem CID 131856725) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
PubChem CID131856725
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
SMILESCCN(CC)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C13H19NO/c1-3-14(4-2)12-9-10-7-5-6-8-11(10)13(12)15/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13+/m1/s1
InChIKeyAENRGZKELHPZCY-OLZOCXBDSA-N
XLogP1.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63955358
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;butanedioic acid;sulfane
CID 158628530
2-N-ethyl-2-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 61448210
6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63690691
N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide
CID 97335641
(1S,2R)-2-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-2,3-dihydro-1H-inden-1-ol
CID 97335621
(1R,2R)-2-[amino(methyl)amino]-2,3-dihydro-1H-inden-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 158123957
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
CID 100674335

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol (CID 131856725) is (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol is CCN(CC)[C@@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AENRGZKELHPZCY-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14(4-2)12-9-10-7-5-6-8-11(10)13(12)15/h5-8,12-13,15H,3-4,9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 131856725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).