1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine

C15H15BrFNO — CID 83234688

IUPAC1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)7-11-3-2-4-12(8-11)19-13-5-6-15(17)14(16)9-13/h2-6,8-10H,7,18H2,1H3
InChIKeyNEAKVZYRUUTJGM-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.27
Rot. Bonds4

About 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine

1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine (PubChem CID 83234688) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
PubChem CID83234688
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-10(18)7-11-3-2-4-12(8-11)19-13-5-6-15(17)14(16)9-13/h2-6,8-10H,7,18H2,1H3
InChIKeyNEAKVZYRUUTJGM-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
CID 64713841
(1R)-1-[4-(3-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 83235043
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine (CID 83234688) is 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine?
The InChIKey is NEAKVZYRUUTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10(18)7-11-3-2-4-12(8-11)19-13-5-6-15(17)14(16)9-13/h2-6,8-10H,7,18H2,1H3.
What are the key properties of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine?
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine has a molecular weight of 324.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 83234688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).