6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C17H20ClNO — CID 23635612

IUPAC6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)CCC(Nc1ccccc1)C2.Cl
InChIInChI=1S/C17H19NO.ClH/c1-19-17-10-8-13-11-16(9-7-14(13)12-17)18-15-5-3-2-4-6-15;/h2-6,8,10,12,16,18H,7,9,11H2,1H3;1H
InChIKeyWIPNQTUDLILBFZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.09
Rot. Bonds3

About 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 23635612) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID23635612
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)CCC(Nc1ccccc1)C2.Cl
InChIInChI=1S/C17H19NO.ClH/c1-19-17-10-8-13-11-16(9-7-14(13)12-17)18-15-5-3-2-4-6-15;/h2-6,8,10,12,16,18H,7,9,11H2,1H3;1H
InChIKeyWIPNQTUDLILBFZ-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 23635612) is 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1ccc2c(c1)CCC(Nc1ccccc1)C2.Cl.
What is the InChIKey of 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is WIPNQTUDLILBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-19-17-10-8-13-11-16(9-7-14(13)12-17)18-15-5-3-2-4-6-15;/h2-6,8,10,12,16,18H,7,9,11H2,1H3;1H.
What are the key properties of 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 23635612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).