[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine

C14H13BrFNO — CID 81322221

IUPAC[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c1-9-2-3-10(8-17)14(4-9)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3
InChIKeyALFSRBPQCWFFOZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.15
Rot. Bonds3

About [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine

[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine (PubChem CID 81322221) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
PubChem CID81322221
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(Oc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c1-9-2-3-10(8-17)14(4-9)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3
InChIKeyALFSRBPQCWFFOZ-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
[2-(3,5-difluorophenoxy)-4-methoxyphenyl]methanamine
CID 81299926
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
2-(3-bromo-5-fluorophenoxy)-5-methylbenzoic acid
CID 81331429
2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
CID 107928233
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
2-(3-bromo-5-fluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930240
[2-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 63456891
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine (CID 81322221) is [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)c(Oc2cc(F)cc(Br)c2)c1.
What is the InChIKey of [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
The InChIKey is ALFSRBPQCWFFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-2-3-10(8-17)14(4-9)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3.
What are the key properties of [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 81322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).