1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H17BrFNO — CID 79709715

IUPAC1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(19)6-13-4-2-3-5-16(13)20-10-12-7-14(17)9-15(18)8-12/h2-5,7-9,11H,6,10,19H2,1H3
InChIKeySIPYOHOWMJSJNI-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 79709715) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID79709715
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-11(19)6-13-4-2-3-5-16(13)20-10-12-7-14(17)9-15(18)8-12/h2-5,7-9,11H,6,10,19H2,1H3
InChIKeySIPYOHOWMJSJNI-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668
2-(3-bromo-5-fluorophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 115533554
1-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 106269159
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
[2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 79706071
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
CID 79706034

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 79709715) is 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is SIPYOHOWMJSJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(19)6-13-4-2-3-5-16(13)20-10-12-7-14(17)9-15(18)8-12/h2-5,7-9,11H,6,10,19H2,1H3.
What are the key properties of 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 79709715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).