2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C11H13BrF3NO — CID 66276282

IUPAC2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1ccccc1Br)C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-7(11(13,14)15)17-10(6-16)8-4-2-3-5-9(8)12/h2-5,7,10H,6,16H2,1H3
InChIKeySKUWLYFTQVMDLL-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66276282) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66276282
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1ccccc1Br)C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-7(11(13,14)15)17-10(6-16)8-4-2-3-5-9(8)12/h2-5,7,10H,6,16H2,1H3
InChIKeySKUWLYFTQVMDLL-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
1-[2-bromo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylbenzene
CID 66276806
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 95001885
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63457818
2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
CID 55191674
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
2-(2-bromophenyl)-2-(4-methylphenoxy)ethanamine
CID 55022309
2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
CID 55022743

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66276282) is 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OC(CN)c1ccccc1Br)C(F)(F)F.
What is the InChIKey of 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is SKUWLYFTQVMDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-7(11(13,14)15)17-10(6-16)8-4-2-3-5-9(8)12/h2-5,7,10H,6,16H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 312.13 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).