2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride

C12H16ClNO — CID 171323399

IUPAC2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C12H15NO.ClH/c1-8(13)12(14)11-6-5-9-3-2-4-10(9)7-11;/h5-8H,2-4,13H2,1H3;1H
InChIKeyJNDJWBLBFXVHOW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.13
Rot. Bonds2

About 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride

2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride (PubChem CID 171323399) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
PubChem CID171323399
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C12H15NO.ClH/c1-8(13)12(14)11-6-5-9-3-2-4-10(9)7-11;/h5-8H,2-4,13H2,1H3;1H
InChIKeyJNDJWBLBFXVHOW-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-1-(2-methyl-2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 83832234
3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
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CID 66446406
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone;hydrochloride
CID 119520750
2-(cycloheptylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 82101148

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride (CID 171323399) is 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride is CC(N)C(=O)c1ccc2c(c1)CCC2.Cl.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride?
The InChIKey is JNDJWBLBFXVHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-8(13)12(14)11-6-5-9-3-2-4-10(9)7-11;/h5-8H,2-4,13H2,1H3;1H.
What are the key properties of 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride?
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 171323399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).