N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine

C14H19BrF3NO — CID 62110916

IUPACN-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrF3NO/c1-13(2,3)19-8-12(20-9-14(16,17)18)10-4-6-11(15)7-5-10/h4-7,12,19H,8-9H2,1-3H3
InChIKeyUNWMIEWIRHTJPX-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62110916) has the molecular formula C14H19BrF3NO and a molecular weight of 354.21 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62110916
Molecular FormulaC14H19BrF3NO
Molecular Weight354.21 g/mol
Exact Mass353.06
IUPAC NameN-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrF3NO/c1-13(2,3)19-8-12(20-9-14(16,17)18)10-4-6-11(15)7-5-10/h4-7,12,19H,8-9H2,1-3H3
InChIKeyUNWMIEWIRHTJPX-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-bromo-4-(1-hydroxy-2-isopropylamino)ethyl-
CID 62773144
Ethanamine, 2-((4-bromophenyl)(4-fluorophenyl)methoxy)-N,N-dimethyl-, hydrochloride
CID 57023
2-(4-Bromophenyl)morpholine
CID 14425822
2-(2-Bromophenyl)morpholine
CID 22472793
2-(3-Bromophenyl)morpholine
CID 43350820
(2S)-2-(4-bromophenyl)morpholine hydrochloride
CID 66842433
(2S)-2-(4-bromophenyl)-4-methylmorpholine
CID 67354235
N-[(1R,2R)-1-[(1S)-1-(3-bromophenyl)but-3-enoxy]-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 15737567
2-(4-Bromophenyl)-4-methylmorpholine
CID 12761207
bromazine HCl
CID 15736
5,5-Dimethyl-2-(3-(trifluoromethyl)phenyl)morpholine
CID 43366936
2-(4-Bromophenyl)-1,4-oxazepane
CID 43498451

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine (CID 62110916) is N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is UNWMIEWIRHTJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NO/c1-13(2,3)19-8-12(20-9-14(16,17)18)10-4-6-11(15)7-5-10/h4-7,12,19H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 354.21 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62110916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).