1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H13BrF3NO — CID 103214570

IUPAC1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrF3NO/c12-9-3-1-8(2-4-9)5-10(16)6-17-7-11(13,14)15/h1-4,10H,5-7,16H2
InChIKeyHYRRHYAOCWIZIB-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214570) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214570
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1ccc(Br)cc1
InChIInChI=1S/C11H13BrF3NO/c12-9-3-1-8(2-4-9)5-10(16)6-17-7-11(13,14)15/h1-4,10H,5-7,16H2
InChIKeyHYRRHYAOCWIZIB-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214921
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527
1-(2,2,2-trifluoroethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103214868
2-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311680
1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095198
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
2-[(4-bromophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515575
1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62601816
[2-amino-3-(4-bromophenyl)propyl] propanoate
CID 151801688
1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712089

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214570) is 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is HYRRHYAOCWIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c12-9-3-1-8(2-4-9)5-10(16)6-17-7-11(13,14)15/h1-4,10H,5-7,16H2.
What are the key properties of 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 312.13 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).