8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C15H19Cl2NO — CID 138400673

IUPAC8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESC#CCOc1ccc(Cl)c2c1CCCC2N(C)C.Cl
InChIInChI=1S/C15H18ClNO.ClH/c1-4-10-18-14-9-8-12(16)15-11(14)6-5-7-13(15)17(2)3;/h1,8-9,13H,5-7,10H2,2-3H3;1H
InChIKeyPWYGSJRLRMOPAG-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.71
Rot. Bonds3

About 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 138400673) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID138400673
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESC#CCOc1ccc(Cl)c2c1CCCC2N(C)C.Cl
InChIInChI=1S/C15H18ClNO.ClH/c1-4-10-18-14-9-8-12(16)15-11(14)6-5-7-13(15)17(2)3;/h1,8-9,13H,5-7,10H2,2-3H3;1H
InChIKeyPWYGSJRLRMOPAG-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 138400673) is 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is C#CCOc1ccc(Cl)c2c1CCCC2N(C)C.Cl.
What is the InChIKey of 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is PWYGSJRLRMOPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO.ClH/c1-4-10-18-14-9-8-12(16)15-11(14)6-5-7-13(15)17(2)3;/h1,8-9,13H,5-7,10H2,2-3H3;1H.
What are the key properties of 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 300.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 138400673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).