(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride

C12H16ClN — CID 169449547

IUPAC(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1cccc2c1CCC=C2.Cl
InChIInChI=1S/C12H15N.ClH/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2,4-6,8-9H,3,7,13H2,1H3;1H/t9-;/m1./s1
InChIKeyZEUSAQNBTBAQMZ-SBSPUUFOSA-N
MW209.72 g/mol
LogP3.09
Rot. Bonds1

About (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride

(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride (PubChem CID 169449547) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride
PubChem CID169449547
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1cccc2c1CCC=C2.Cl
InChIInChI=1S/C12H15N.ClH/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2,4-6,8-9H,3,7,13H2,1H3;1H/t9-;/m1./s1
InChIKeyZEUSAQNBTBAQMZ-SBSPUUFOSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride (CID 169449547) is (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride is C[C@@H](N)c1cccc2c1CCC=C2.Cl.
What is the InChIKey of (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride?
The InChIKey is ZEUSAQNBTBAQMZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H15N.ClH/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2,4-6,8-9H,3,7,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride?
(1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(7,8-dihydronaphthalen-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 169449547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).