2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine

C21H26BrNO — CID 18361484

IUPAC2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCc2cc(OCc3ccc(Br)cc3)ccc2C1
InChIInChI=1S/C21H26BrNO/c1-23(2)12-11-16-3-6-19-14-21(10-7-18(19)13-16)24-15-17-4-8-20(22)9-5-17/h4-5,7-10,14,16H,3,6,11-13,15H2,1-2H3
InChIKeyCUYAVWYTXLVMBT-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.08
Rot. Bonds6

About 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine

2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine (PubChem CID 18361484) has the molecular formula C21H26BrNO and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
PubChem CID18361484
Molecular FormulaC21H26BrNO
Molecular Weight388.35 g/mol
Exact Mass387.12
IUPAC Name2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CCc2cc(OCc3ccc(Br)cc3)ccc2C1
InChIInChI=1S/C21H26BrNO/c1-23(2)12-11-16-3-6-19-14-21(10-7-18(19)13-16)24-15-17-4-8-20(22)9-5-17/h4-5,7-10,14,16H,3,6,11-13,15H2,1-2H3
InChIKeyCUYAVWYTXLVMBT-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine (CID 18361484) is 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine is CN(C)CCC1CCc2cc(OCc3ccc(Br)cc3)ccc2C1.
What is the InChIKey of 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
The InChIKey is CUYAVWYTXLVMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO/c1-23(2)12-11-16-3-6-19-14-21(10-7-18(19)13-16)24-15-17-4-8-20(22)9-5-17/h4-5,7-10,14,16H,3,6,11-13,15H2,1-2H3.
What are the key properties of 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine?
2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine has a molecular weight of 388.35 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 18361484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).