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

C14H20BrF2NO — CID 82005858

IUPACN-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrF2NO/c1-14(2,3)18-8-12(19-9-13(16)17)10-4-6-11(15)7-5-10/h4-7,12-13,18H,8-9H2,1-3H3
InChIKeyBPDSHBYJMMGWDS-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.16
Rot. Bonds6

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

N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 82005858) has the molecular formula C14H20BrF2NO and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID82005858
Molecular FormulaC14H20BrF2NO
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC NameN-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC(F)F)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrF2NO/c1-14(2,3)18-8-12(19-9-13(16)17)10-4-6-11(15)7-5-10/h4-7,12-13,18H,8-9H2,1-3H3
InChIKeyBPDSHBYJMMGWDS-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.16
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-difluoroethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine (CID 82005858) is N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCC(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is BPDSHBYJMMGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2NO/c1-14(2,3)18-8-12(19-9-13(16)17)10-4-6-11(15)7-5-10/h4-7,12-13,18H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-bromophenyl)-2-(2,2-difluoroethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 336.22 g/mol, XLogP of 4.16, 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-difluoroethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82005858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).