1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine

C17H19BrFNO — CID 115958837

IUPAC1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCc1ccccc1Br
InChIInChI=1S/C17H19BrFNO/c1-2-14(20)10-12-7-5-9-16(19)17(12)21-11-13-6-3-4-8-15(13)18/h3-9,14H,2,10-11,20H2,1H3
InChIKeyIYPRDROECYFLPA-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.45
Rot. Bonds6

About 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine

1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine (PubChem CID 115958837) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
PubChem CID115958837
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCc1ccccc1Br
InChIInChI=1S/C17H19BrFNO/c1-2-14(20)10-12-7-5-9-16(19)17(12)21-11-13-6-3-4-8-15(13)18/h3-9,14H,2,10-11,20H2,1H3
InChIKeyIYPRDROECYFLPA-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
1-(2-but-3-ynoxy-3-fluorophenyl)butan-2-amine
CID 112615990
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728472
1-[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958849
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958814
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
3-[2-(2-aminobutyl)-6-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 115958830

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine (CID 115958837) is 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OCc1ccccc1Br.
What is the InChIKey of 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine?
The InChIKey is IYPRDROECYFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-2-14(20)10-12-7-5-9-16(19)17(12)21-11-13-6-3-4-8-15(13)18/h3-9,14H,2,10-11,20H2,1H3.
What are the key properties of 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine?
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine has a molecular weight of 352.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine is sourced from PubChem (CID 115958837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).