(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C12H18ClN — CID 162344374

IUPAC(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCc1cc2c(cc1C)[C@@H](N)CCC2.Cl
InChIInChI=1S/C12H17N.ClH/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2;/h6-7,12H,3-5,13H2,1-2H3;1H/t12-;/m0./s1
InChIKeyPXGPOSTWOCJMIG-YDALLXLXSA-N
MW211.74 g/mol
LogP3.06
Rot. Bonds

About (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 162344374) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID162344374
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCc1cc2c(cc1C)[C@@H](N)CCC2.Cl
InChIInChI=1S/C12H17N.ClH/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2;/h6-7,12H,3-5,13H2,1-2H3;1H/t12-;/m0./s1
InChIKeyPXGPOSTWOCJMIG-YDALLXLXSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 162344374) is (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is Cc1cc2c(cc1C)[C@@H](N)CCC2.Cl.
What is the InChIKey of (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is PXGPOSTWOCJMIG-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2;/h6-7,12H,3-5,13H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 162344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).