1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine

C12H15BrF3NO — CID 82954803

IUPAC1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
SMILESCC(N)C(OCCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H15BrF3NO/c1-8(17)11(18-6-5-12(14,15)16)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6,17H2,1H3
InChIKeyDDKFJFPDMDLPBS-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine

1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine (PubChem CID 82954803) has the molecular formula C12H15BrF3NO and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
PubChem CID82954803
Molecular FormulaC12H15BrF3NO
Molecular Weight326.16 g/mol
Exact Mass325.03
IUPAC Name1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
SMILESCC(N)C(OCCC(F)(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H15BrF3NO/c1-8(17)11(18-6-5-12(14,15)16)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6,17H2,1H3
InChIKeyDDKFJFPDMDLPBS-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55018053
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
1-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)propan-2-amine
CID 63461552
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
N-[(1R)-1-(3-bromophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513834
1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
1-(3-bromophenyl)-1-octan-2-yloxypropan-2-amine
CID 63459544
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
CID 63459943

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine (CID 82954803) is 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine is CC(N)C(OCCC(F)(F)F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine?
The InChIKey is DDKFJFPDMDLPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3NO/c1-8(17)11(18-6-5-12(14,15)16)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6,17H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine?
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine has a molecular weight of 326.16 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine is sourced from PubChem (CID 82954803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).