1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine

C16H17BrClNO — CID 11210440

IUPAC1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3
InChIKeyGNJMHFOKSMUCQM-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.74
Rot. Bonds5

About 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine

1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine (PubChem CID 11210440) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine
PubChem CID11210440
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3
InChIKeyGNJMHFOKSMUCQM-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine (CID 11210440) is 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine?
The InChIKey is GNJMHFOKSMUCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-19(2)10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(18)7-4-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine?
1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11210440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).