[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine

C14H13BrFNO — CID 107532608

IUPAC[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)c(Br)c2F)cc1
InChIInChI=1S/C14H13BrFNO/c1-9-2-5-11(6-3-9)18-12-7-4-10(8-17)13(15)14(12)16/h2-7H,8,17H2,1H3
InChIKeyCILAJLSZBKUQOE-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.15
Rot. Bonds3

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

[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine (PubChem CID 107532608) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
PubChem CID107532608
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
SMILESCc1ccc(Oc2ccc(CN)c(Br)c2F)cc1
InChIInChI=1S/C14H13BrFNO/c1-9-2-5-11(6-3-9)18-12-7-4-10(8-17)13(15)14(12)16/h2-7H,8,17H2,1H3
InChIKeyCILAJLSZBKUQOE-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-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
[2-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 107532626
[2-(4-fluorophenoxy)-4-methylphenyl]methanamine
CID 62306766
[2-bromo-4-(5-chloro-2-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532719
2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
CID 107532624
[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
CID 107532733
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine?
The IUPAC name of [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine (CID 107532608) is [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine is Cc1ccc(Oc2ccc(CN)c(Br)c2F)cc1.
What is the InChIKey of [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine?
The InChIKey is CILAJLSZBKUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-2-5-11(6-3-9)18-12-7-4-10(8-17)13(15)14(12)16/h2-7H,8,17H2,1H3.
What are the key properties of [2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine?
[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]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-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine is sourced from PubChem (CID 107532608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).