1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine

C14H13BrFNO — CID 83234561

IUPAC1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c1-17-9-10-3-2-4-11(7-10)18-12-5-6-14(16)13(15)8-12/h2-8,17H,9H2,1H3
InChIKeyGSZDPJNJVOYMSR-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.10
Rot. Bonds4

About 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine

1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 83234561) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
PubChem CID83234561
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c1-17-9-10-3-2-4-11(7-10)18-12-5-6-14(16)13(15)8-12/h2-8,17H,9H2,1H3
InChIKeyGSZDPJNJVOYMSR-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63942917
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951
1-[3-[(3-bromo-4-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457922
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine (CID 83234561) is 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is GSZDPJNJVOYMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-17-9-10-3-2-4-11(7-10)18-12-5-6-14(16)13(15)8-12/h2-8,17H,9H2,1H3.
What are the key properties of 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine?
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 310.17 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 83234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).