[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine

C13H9Br2F2NO — CID 64720890

IUPAC[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(Oc2ccc(Br)cc2Br)c(F)c1
InChIInChI=1S/C13H9Br2F2NO/c14-8-1-2-12(9(15)5-8)19-13-10(16)3-7(6-18)4-11(13)17/h1-5H,6,18H2
InChIKeyFCUNFEHSULAMTA-UHFFFAOYSA-N
MW393.03 g/mol
LogP4.74
Rot. Bonds3

About [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine

[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine (PubChem CID 64720890) has the molecular formula C13H9Br2F2NO and a molecular weight of 393.03 g/mol. Its IUPAC name is [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
PubChem CID64720890
Molecular FormulaC13H9Br2F2NO
Molecular Weight393.03 g/mol
Exact Mass390.90
IUPAC Name[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
SMILESNCc1cc(F)c(Oc2ccc(Br)cc2Br)c(F)c1
InChIInChI=1S/C13H9Br2F2NO/c14-8-1-2-12(9(15)5-8)19-13-10(16)3-7(6-18)4-11(13)17/h1-5H,6,18H2
InChIKeyFCUNFEHSULAMTA-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.03
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromo-2-nitrophenoxy)-3,5-difluorophenyl]methanamine
CID 65429448
2-[4-(2-bromo-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816477
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
CID 63077891
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
[3-bromo-5-(5-bromo-2-fluorophenoxy)phenyl]methanamine
CID 102814762

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine (CID 64720890) is [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine is NCc1cc(F)c(Oc2ccc(Br)cc2Br)c(F)c1.
What is the InChIKey of [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine?
The InChIKey is FCUNFEHSULAMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2NO/c14-8-1-2-12(9(15)5-8)19-13-10(16)3-7(6-18)4-11(13)17/h1-5H,6,18H2.
What are the key properties of [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine?
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine has a molecular weight of 393.03 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 64720890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).