2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine

C17H19BrFNO — CID 106792000

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ccc(C)cc1OC
InChIInChI=1S/C17H19BrFNO/c1-11-4-6-14(17(8-11)21-3)16(20-2)10-12-9-13(18)5-7-15(12)19/h4-9,16,20H,10H2,1-3H3
InChIKeyFRJWOVHNSAGAJS-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.41
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine

2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 106792000) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID106792000
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ccc(C)cc1OC
InChIInChI=1S/C17H19BrFNO/c1-11-4-6-14(17(8-11)21-3)16(20-2)10-12-9-13(18)5-7-15(12)19/h4-9,16,20H,10H2,1-3H3
InChIKeyFRJWOVHNSAGAJS-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 115839478
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155
2-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115839656
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
2-(5-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115839081
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
1-(2-bromo-4-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)-N-methylethanamine
CID 107992250

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine (CID 106792000) is 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)c1ccc(C)cc1OC.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is FRJWOVHNSAGAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11-4-6-14(17(8-11)21-3)16(20-2)10-12-9-13(18)5-7-15(12)19/h4-9,16,20H,10H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 106792000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).