1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine

C15H14BrClFNO — CID 107946711

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2cc(Cl)cc(Br)c2)c1F
InChIInChI=1S/C15H14BrClFNO/c1-20-14-4-2-3-9(15(14)18)7-13(19)10-5-11(16)8-12(17)6-10/h2-6,8,13H,7,19H2,1H3
InChIKeyIVMVBCSUFSEALH-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine

1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (PubChem CID 107946711) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
PubChem CID107946711
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2cc(Cl)cc(Br)c2)c1F
InChIInChI=1S/C15H14BrClFNO/c1-20-14-4-2-3-9(15(14)18)7-13(19)10-5-11(16)8-12(17)6-10/h2-6,8,13H,7,19H2,1H3
InChIKeyIVMVBCSUFSEALH-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
1-(4-bromo-3,5-dimethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 114330177
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035659
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
1-(3-bromo-2-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035605
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
[1-(3-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105194806
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine (CID 107946711) is 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2cc(Cl)cc(Br)c2)c1F.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
The InChIKey is IVMVBCSUFSEALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-20-14-4-2-3-9(15(14)18)7-13(19)10-5-11(16)8-12(17)6-10/h2-6,8,13H,7,19H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine is sourced from PubChem (CID 107946711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).