(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride

C11H16ClNO — CID 70817218

IUPAC(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCOc1ccc2c(c1)CC[C@@H]2N.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-13-9-4-5-10-8(7-9)3-6-11(10)12;/h4-5,7,11H,2-3,6,12H2,1H3;1H/t11-;/m0./s1
InChIKeyQGJKLZLWNYOZSD-MERQFXBCSA-N
MW213.71 g/mol
LogP2.45
Rot. Bonds2

About (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride

(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 70817218) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID70817218
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCOc1ccc2c(c1)CC[C@@H]2N.Cl
InChIInChI=1S/C11H15NO.ClH/c1-2-13-9-4-5-10-8(7-9)3-6-11(10)12;/h4-5,7,11H,2-3,6,12H2,1H3;1H/t11-;/m0./s1
InChIKeyQGJKLZLWNYOZSD-MERQFXBCSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683001
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683014
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
(4R)-7-ethoxy-3,4-dihydro-1H-isochromen-4-amine
CID 131221796
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721

Frequently Asked Questions

What is the IUPAC name of (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 70817218) is (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride is CCOc1ccc2c(c1)CC[C@@H]2N.Cl.
What is the InChIKey of (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is QGJKLZLWNYOZSD-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-13-9-4-5-10-8(7-9)3-6-11(10)12;/h4-5,7,11H,2-3,6,12H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 70817218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).