[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine

C14H12Br2FNO — CID 107532667

IUPAC[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)c(Br)c2F)c(Br)c1
InChIInChI=1S/C14H12Br2FNO/c1-8-2-4-11(10(15)6-8)19-12-5-3-9(7-18)13(16)14(12)17/h2-6H,7,18H2,1H3
InChIKeyCXTIRBJCDALYAR-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.91
Rot. Bonds3

About [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine

[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine (PubChem CID 107532667) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
PubChem CID107532667
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)c(Br)c2F)c(Br)c1
InChIInChI=1S/C14H12Br2FNO/c1-8-2-4-11(10(15)6-8)19-12-5-3-9(7-18)13(16)14(12)17/h2-6H,7,18H2,1H3
InChIKeyCXTIRBJCDALYAR-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 107532608
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorobenzoic acid
CID 107540684
[2-bromo-4-(5-chloro-2-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532719
[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528674
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine (CID 107532667) is [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine is Cc1ccc(Oc2ccc(CN)c(Br)c2F)c(Br)c1.
What is the InChIKey of [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine?
The InChIKey is CXTIRBJCDALYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-8-2-4-11(10(15)6-8)19-12-5-3-9(7-18)13(16)14(12)17/h2-6H,7,18H2,1H3.
What are the key properties of [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine?
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine has a molecular weight of 389.06 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 107532667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).