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

C18H22ClNO2 — CID 23636353

IUPAC5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1ccc(NC2CCc3c(cccc3OC)C2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-20-16-9-6-14(7-10-16)19-15-8-11-17-13(12-15)4-3-5-18(17)21-2;/h3-7,9-10,15,19H,8,11-12H2,1-2H3;1H
InChIKeyAZYIDOOUBKDNAX-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.09
Rot. Bonds4

About 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 23636353) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID23636353
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1ccc(NC2CCc3c(cccc3OC)C2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-20-16-9-6-14(7-10-16)19-15-8-11-17-13(12-15)4-3-5-18(17)21-2;/h3-7,9-10,15,19H,8,11-12H2,1-2H3;1H
InChIKeyAZYIDOOUBKDNAX-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 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 23636353) is 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1ccc(NC2CCc3c(cccc3OC)C2)cc1.Cl.
What is the InChIKey of 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is AZYIDOOUBKDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-20-16-9-6-14(7-10-16)19-15-8-11-17-13(12-15)4-3-5-18(17)21-2;/h3-7,9-10,15,19H,8,11-12H2,1-2H3;1H.
What are the key properties of 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
5-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 5-methoxy-N-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 23636353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).