1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine

C17H19BrFN — CID 63086064

IUPAC1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFN/c1-17(2,13-6-4-3-5-7-13)16(20)11-12-10-14(19)8-9-15(12)18/h3-10,16H,11,20H2,1-2H3
InChIKeyRXYFHHPRPJFQLY-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.44
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine

1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine (PubChem CID 63086064) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
PubChem CID63086064
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C17H19BrFN/c1-17(2,13-6-4-3-5-7-13)16(20)11-12-10-14(19)8-9-15(12)18/h3-10,16H,11,20H2,1-2H3
InChIKeyRXYFHHPRPJFQLY-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
CID 116563898
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
[1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216447
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
3-[(2-bromo-5-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 62915813
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine (CID 63086064) is 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine is CC(C)(c1ccccc1)C(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine?
The InChIKey is RXYFHHPRPJFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-17(2,13-6-4-3-5-7-13)16(20)11-12-10-14(19)8-9-15(12)18/h3-10,16H,11,20H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine is sourced from PubChem (CID 63086064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).