1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine

C14H13BrFNO — CID 114069268

IUPAC1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1Oc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO/c1-17-9-10-3-2-4-13(16)14(10)18-12-7-5-11(15)6-8-12/h2-8,17H,9H2,1H3
InChIKeyVQRVOUFPTHTDJZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine

1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 114069268) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID114069268
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1Oc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNO/c1-17-9-10-3-2-4-13(16)14(10)18-12-7-5-11(15)6-8-12/h2-8,17H,9H2,1H3
InChIKeyVQRVOUFPTHTDJZ-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-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
1-(chloromethyl)-3-fluoro-2-(4-methoxyphenoxy)benzene
CID 114067984
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
1-(bromomethyl)-3-fluoro-2-(4-propylphenoxy)benzene
CID 114068020
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469
1-[2-(4,4-dimethylpent-2-ynoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114189788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine (CID 114069268) is 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1cccc(F)c1Oc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is VQRVOUFPTHTDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-17-9-10-3-2-4-13(16)14(10)18-12-7-5-11(15)6-8-12/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[2-(4-bromophenoxy)-3-fluorophenyl]-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-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114069268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).