[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine

C13H10BrClFNO — CID 114889959

IUPAC[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H10BrClFNO/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2
InChIKeyOVGQGVITFUDFMX-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.49
Rot. Bonds3

About [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine

[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine (PubChem CID 114889959) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
PubChem CID114889959
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H10BrClFNO/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2
InChIKeyOVGQGVITFUDFMX-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
CID 114889861
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
CID 114061460
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine (CID 114889959) is [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine is NCc1cc(Br)ccc1Oc1cccc(Cl)c1F.
What is the InChIKey of [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine?
The InChIKey is OVGQGVITFUDFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6H,7,17H2.
What are the key properties of [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine?
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine has a molecular weight of 330.58 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 114889959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).