(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol

C14H21NO — CID 101189378

IUPAC(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol
SMILESCCN(CC)[C@H]1Cc2ccccc2[C@]1(C)O
InChIInChI=1S/C14H21NO/c1-4-15(5-2)13-10-11-8-6-7-9-12(11)14(13,3)16/h6-9,13,16H,4-5,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyBTUVUYRDRLRQPB-KBPBESRZSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds3

About (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol

(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol (PubChem CID 101189378) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol
PubChem CID101189378
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol
SMILESCCN(CC)[C@H]1Cc2ccccc2[C@]1(C)O
InChIInChI=1S/C14H21NO/c1-4-15(5-2)13-10-11-8-6-7-9-12(11)14(13,3)16/h6-9,13,16H,4-5,10H2,1-3H3/t13-,14-/m0/s1
InChIKeyBTUVUYRDRLRQPB-KBPBESRZSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 210015
1-Indanol, 2-(1-methyl-4-piperidyl)-1-phenyl-
CID 210017
1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, monohydrochloride
CID 54552
1-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-ol
CID 62772941
2-(1-Methylhydrazino)-1-indanol
CID 22261265
9-[3-(diethylamino)propyl]-9H-fluoren-9-ol hydrochloride
CID 1896141
9-[3-(Dimethylamino)propyl]fluoren-9-ol
CID 23737064
1-Pyrrolidin-2-yl-2,3-dihydroinden-1-ol
CID 64089691
a-(1-Dimethyl-aminoethyl)-a-methylbenzyl alcohol
CID 129807414
2-Azido-1-phenyl-2,3-dihydroinden-1-ol
CID 135065833
9-(4-Ethylpiperazino-1-carbonyl)fluoren-9-ol
CID 156025524
1-Methyl-2,3,9,9a-tetrahydroindeno[2,3-b]pyridin-9-ol
CID 54553

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol (CID 101189378) is (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol is CCN(CC)[C@H]1Cc2ccccc2[C@]1(C)O.
What is the InChIKey of (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol?
The InChIKey is BTUVUYRDRLRQPB-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15(5-2)13-10-11-8-6-7-9-12(11)14(13,3)16/h6-9,13,16H,4-5,10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol?
(1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(diethylamino)-1-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 101189378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).