N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine

C16H17BrFNO — CID 43282598

IUPACN-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-11(2)19-10-12-5-3-4-6-15(12)20-16-8-7-13(18)9-14(16)17/h3-9,11,19H,10H2,1-2H3
InChIKeyFVDIPLQVWPRFPR-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.88
Rot. Bonds5

About N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine

N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43282598) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID43282598
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-11(2)19-10-12-5-3-4-6-15(12)20-16-8-7-13(18)9-14(16)17/h3-9,11,19H,10H2,1-2H3
InChIKeyFVDIPLQVWPRFPR-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
N-[[2-(2-bromo-4-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83186680
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[[2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 62198279
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine (CID 43282598) is N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1Oc1ccc(F)cc1Br.
What is the InChIKey of N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is FVDIPLQVWPRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-11(2)19-10-12-5-3-4-6-15(12)20-16-8-7-13(18)9-14(16)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine?
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43282598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).