7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C18H22ClNO2 — CID 23636355

IUPAC7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1ccc(NC2CCc3ccc(OC)cc3C2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-20-17-9-6-15(7-10-17)19-16-5-3-13-4-8-18(21-2)12-14(13)11-16;/h4,6-10,12,16,19H,3,5,11H2,1-2H3;1H
InChIKeyDDGJYFVHWNXJFE-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.09
Rot. Bonds4

About 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 23636355) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID23636355
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1ccc(NC2CCc3ccc(OC)cc3C2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-20-17-9-6-15(7-10-17)19-16-5-3-13-4-8-18(21-2)12-14(13)11-16;/h4,6-10,12,16,19H,3,5,11H2,1-2H3;1H
InChIKeyDDGJYFVHWNXJFE-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 23636355) is 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1ccc(NC2CCc3ccc(OC)cc3C2)cc1.Cl.
What is the InChIKey of 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is DDGJYFVHWNXJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-20-17-9-6-15(7-10-17)19-16-5-3-13-4-8-18(21-2)12-14(13)11-16;/h4,6-10,12,16,19H,3,5,11H2,1-2H3;1H.
What are the key properties of 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 23636355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).