2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine

C28H33NO2 — CID 68808496

IUPAC2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2ccc(COc3cccc4c3CCC(CCN(C)C)C4)cc2)cc1
InChIInChI=1S/C28H33NO2/c1-29(2)18-17-21-9-16-27-25(19-21)5-4-6-28(27)31-20-22-7-10-23(11-8-22)24-12-14-26(30-3)15-13-24/h4-8,10-15,21H,9,16-20H2,1-3H3
InChIKeyWTAVAECGMDWEIU-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.00
Rot. Bonds8

About 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine

2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine (PubChem CID 68808496) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
PubChem CID68808496
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2ccc(COc3cccc4c3CCC(CCN(C)C)C4)cc2)cc1
InChIInChI=1S/C28H33NO2/c1-29(2)18-17-21-9-16-27-25(19-21)5-4-6-28(27)31-20-22-7-10-23(11-8-22)24-12-14-26(30-3)15-13-24/h4-8,10-15,21H,9,16-20H2,1-3H3
InChIKeyWTAVAECGMDWEIU-UHFFFAOYSA-N
XLogP6.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine (CID 68808496) is 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine is COc1ccc(-c2ccc(COc3cccc4c3CCC(CCN(C)C)C4)cc2)cc1.
What is the InChIKey of 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
The InChIKey is WTAVAECGMDWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-29(2)18-17-21-9-16-27-25(19-21)5-4-6-28(27)31-20-22-7-10-23(11-8-22)24-12-14-26(30-3)15-13-24/h4-8,10-15,21H,9,16-20H2,1-3H3.
What are the key properties of 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine has a molecular weight of 415.58 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 68808496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).