[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine

C14H12BrClFNO — CID 112607692

IUPAC[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
SMILESNCc1cccc(Cl)c1OCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrClFNO/c15-11-4-5-13(17)10(6-11)8-19-14-9(7-18)2-1-3-12(14)16/h1-6H,7-8,18H2
InChIKeyKFDPXASTCKRSFO-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.28
Rot. Bonds4

About [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine

[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine (PubChem CID 112607692) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
PubChem CID112607692
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
SMILESNCc1cccc(Cl)c1OCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrClFNO/c15-11-4-5-13(17)10(6-11)8-19-14-9(7-18)2-1-3-12(14)16/h1-6H,7-8,18H2
InChIKeyKFDPXASTCKRSFO-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607867
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60879448
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
[2-[(4-bromo-2-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607529
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 114848317

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine?
The IUPAC name of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine (CID 112607692) is [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine?
The canonical SMILES for [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine is NCc1cccc(Cl)c1OCc1cc(Br)ccc1F.
What is the InChIKey of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine?
The InChIKey is KFDPXASTCKRSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-11-4-5-13(17)10(6-11)8-19-14-9(7-18)2-1-3-12(14)16/h1-6H,7-8,18H2.
What are the key properties of [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine?
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine is sourced from PubChem (CID 112607692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).