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

C14H13BrFNO — CID 105407437

IUPAC[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFNO/c1-9-2-3-10(8-17)4-14(9)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3
InChIKeyOSFBSCAWYVTWLX-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.15
Rot. Bonds3

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

[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine (PubChem CID 105407437) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
PubChem CID105407437
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFNO/c1-9-2-3-10(8-17)4-14(9)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3
InChIKeyOSFBSCAWYVTWLX-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-[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]acetic acid
CID 21079732
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 79705064

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine (CID 105407437) is [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)cc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
The InChIKey is OSFBSCAWYVTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-2-3-10(8-17)4-14(9)18-13-6-11(15)5-12(16)7-13/h2-7H,8,17H2,1H3.
What are the key properties of [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine?
[3-(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 [3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 105407437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).