N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride

C10H12BrClF3N — CID 172883235

IUPACN-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
SMILESCC(NCC(F)(F)F)c1ccc(Br)cc1.Cl
InChIInChI=1S/C10H11BrF3N.ClH/c1-7(15-6-10(12,13)14)8-2-4-9(11)5-3-8;/h2-5,7,15H,6H2,1H3;1H
InChIKeyDMMNCRWGWNPEFD-UHFFFAOYSA-N
MW318.56 g/mol
LogP4.08
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride

N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 172883235) has the molecular formula C10H12BrClF3N and a molecular weight of 318.56 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID172883235
Molecular FormulaC10H12BrClF3N
Molecular Weight318.56 g/mol
Exact Mass316.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
SMILESCC(NCC(F)(F)F)c1ccc(Br)cc1.Cl
InChIInChI=1S/C10H11BrF3N.ClH/c1-7(15-6-10(12,13)14)8-2-4-9(11)5-3-8;/h2-5,7,15H,6H2,1H3;1H
InChIKeyDMMNCRWGWNPEFD-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
CID 43755062
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride (CID 172883235) is N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride is CC(NCC(F)(F)F)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is DMMNCRWGWNPEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N.ClH/c1-7(15-6-10(12,13)14)8-2-4-9(11)5-3-8;/h2-5,7,15H,6H2,1H3;1H.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride?
N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 318.56 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 172883235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).