2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine

C15H14Br2FN — CID 115839764

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Br)ccc2F)ccc1Br
InChIInChI=1S/C15H14Br2FN/c1-9-6-10(2-4-13(9)17)15(19)8-11-7-12(16)3-5-14(11)18/h2-7,15H,8,19H2,1H3
InChIKeyKIUWDNBVBXLNRY-UHFFFAOYSA-N
MW387.09 g/mol
LogP4.90
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine

2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine (PubChem CID 115839764) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
PubChem CID115839764
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Br)ccc2F)ccc1Br
InChIInChI=1S/C15H14Br2FN/c1-9-6-10(2-4-13(9)17)15(19)8-11-7-12(16)3-5-14(11)18/h2-7,15H,8,19H2,1H3
InChIKeyKIUWDNBVBXLNRY-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 115839341
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848642
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine (CID 115839764) is 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine is Cc1cc(C(N)Cc2cc(Br)ccc2F)ccc1Br.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine?
The InChIKey is KIUWDNBVBXLNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-9-6-10(2-4-13(9)17)15(19)8-11-7-12(16)3-5-14(11)18/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine has a molecular weight of 387.09 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine is sourced from PubChem (CID 115839764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).