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

C14H12BrF2NO — CID 114674362

IUPAC1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-18-8-9-6-11(16)3-5-13(9)19-14-7-10(15)2-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeyRSCQYJBIIZWZEP-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.24
Rot. Bonds4

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

1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 114674362) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID114674362
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-18-8-9-6-11(16)3-5-13(9)19-14-7-10(15)2-4-12(14)17/h2-7,18H,8H2,1H3
InChIKeyRSCQYJBIIZWZEP-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
1-[5-bromo-2-(3-fluorophenoxy)phenyl]-N-methylmethanamine
CID 114061865
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314125
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 114674362) is 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is RSCQYJBIIZWZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-18-8-9-6-11(16)3-5-13(9)19-14-7-10(15)2-4-12(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 328.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114674362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).