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

C13H17BrF3NO — CID 62110748

IUPACN-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrF3NO/c1-9(2)18-7-12(19-8-13(15,16)17)10-3-5-11(14)6-4-10/h3-6,9,12,18H,7-8H2,1-2H3
InChIKeyDHNWSMBSUJGIFT-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.07
Rot. Bonds6

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

N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (PubChem CID 62110748) has the molecular formula C13H17BrF3NO and a molecular weight of 340.18 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
PubChem CID62110748
Molecular FormulaC13H17BrF3NO
Molecular Weight340.18 g/mol
Exact Mass339.04
IUPAC NameN-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrF3NO/c1-9(2)18-7-12(19-8-13(15,16)17)10-3-5-11(14)6-4-10/h3-6,9,12,18H,7-8H2,1-2H3
InChIKeyDHNWSMBSUJGIFT-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (CID 62110748) is N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is CC(C)NCC(OCC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The InChIKey is DHNWSMBSUJGIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3NO/c1-9(2)18-7-12(19-8-13(15,16)17)10-3-5-11(14)6-4-10/h3-6,9,12,18H,7-8H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
N-[2-(4-bromophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine has a molecular weight of 340.18 g/mol, XLogP of 4.07, 6 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]propan-2-amine is sourced from PubChem (CID 62110748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).