2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine

C17H19BrFNO — CID 115401662

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
SMILESCC(C)c1cc(Br)ccc1OC(CN)c1cccc(F)c1
InChIInChI=1S/C17H19BrFNO/c1-11(2)15-9-13(18)6-7-16(15)21-17(10-20)12-4-3-5-14(19)8-12/h3-9,11,17H,10,20H2,1-2H3
InChIKeyUNLISKZMKRDIIZ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine

2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine (PubChem CID 115401662) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
PubChem CID115401662
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
SMILESCC(C)c1cc(Br)ccc1OC(CN)c1cccc(F)c1
InChIInChI=1S/C17H19BrFNO/c1-11(2)15-9-13(18)6-7-16(15)21-17(10-20)12-4-3-5-14(19)8-12/h3-9,11,17H,10,20H2,1-2H3
InChIKeyUNLISKZMKRDIIZ-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
2-(4-bromo-2-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 115401637
2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
CID 115401604
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685
2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
CID 114671834
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine (CID 115401662) is 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine is CC(C)c1cc(Br)ccc1OC(CN)c1cccc(F)c1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine?
The InChIKey is UNLISKZMKRDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11(2)15-9-13(18)6-7-16(15)21-17(10-20)12-4-3-5-14(19)8-12/h3-9,11,17H,10,20H2,1-2H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine?
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 115401662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).