1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine

C17H19BrFNO — CID 63500974

IUPAC1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-16(20-2)14-6-4-5-7-17(14)21-11-12-10-13(18)8-9-15(12)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyKSQSGLROKWEBHD-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.84
Rot. Bonds6

About 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine

1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 63500974) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID63500974
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFNO/c1-3-16(20-2)14-6-4-5-7-17(14)21-11-12-10-13(18)8-9-15(12)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyKSQSGLROKWEBHD-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 65318748
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
CID 115995706
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 107305765
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994361
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 103046950
2-(3-bromo-4-fluorophenyl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533807
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine (CID 63500974) is 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCc1cc(Br)ccc1F.
What is the InChIKey of 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is KSQSGLROKWEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-3-16(20-2)14-6-4-5-7-17(14)21-11-12-10-13(18)8-9-15(12)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 352.25 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63500974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).