1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine

C14H13BrFNO — CID 114061865

IUPAC1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1Oc1cccc(F)c1
InChIInChI=1S/C14H13BrFNO/c1-17-9-10-7-11(15)5-6-14(10)18-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyQPNAWFKJURMQSX-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.10
Rot. Bonds4

About 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine

1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine (PubChem CID 114061865) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
PubChem CID114061865
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1Oc1cccc(F)c1
InChIInChI=1S/C14H13BrFNO/c1-17-9-10-7-11(15)5-6-14(10)18-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyQPNAWFKJURMQSX-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-[5-bromo-2-(3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058269
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
1-[5-bromo-2-[4-methylsulfanyl-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 23378651
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
CID 62336542
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
5-bromo-2-(3-fluorophenoxy)benzenecarbothioamide
CID 114892209
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
CID 24964163

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine (CID 114061865) is 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine is CNCc1cc(Br)ccc1Oc1cccc(F)c1.
What is the InChIKey of 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is QPNAWFKJURMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-17-9-10-7-11(15)5-6-14(10)18-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine?
1-[5-bromo-2-(3-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-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114061865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).