(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride

C11H15ClFNO — CID 174048033

IUPAC(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.N[C@H]1c2ccccc2C[C@H]1OCCF
InChIInChI=1S/C11H14FNO.ClH/c12-5-6-14-10-7-8-3-1-2-4-9(8)11(10)13;/h1-4,10-11H,5-7,13H2;1H/t10-,11+;/m1./s1
InChIKeyZGYLYBYLZDPXKT-DHXVBOOMSA-N
MW231.70 g/mol
LogP2.02
Rot. Bonds3

About (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride

(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 174048033) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID174048033
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.N[C@H]1c2ccccc2C[C@H]1OCCF
InChIInChI=1S/C11H14FNO.ClH/c12-5-6-14-10-7-8-3-1-2-4-9(8)11(10)13;/h1-4,10-11H,5-7,13H2;1H/t10-,11+;/m1./s1
InChIKeyZGYLYBYLZDPXKT-DHXVBOOMSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
CID 146597119
(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
CID 151204534
(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
CID 175792010
(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 93419712
(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine
CID 155468615
2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
CID 43127698
2-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-amine
CID 76789433
2-naphthalen-1-yloxy-2,3-dihydro-1H-inden-1-amine
CID 43100876
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 174048033) is (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cl.N[C@H]1c2ccccc2C[C@H]1OCCF.
What is the InChIKey of (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is ZGYLYBYLZDPXKT-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c12-5-6-14-10-7-8-3-1-2-4-9(8)11(10)13;/h1-4,10-11H,5-7,13H2;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 174048033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).