1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine

C16H16BrF2N — CID 114833945

IUPAC1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)Cc1cccc(F)c1Br
InChIInChI=1S/C16H16BrF2N/c1-16(20,9-11-4-2-6-13(18)8-11)10-12-5-3-7-14(19)15(12)17/h2-8H,9-10,20H2,1H3
InChIKeyWIKBFYIMWRZMJY-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.23
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine

1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114833945) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114833945
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)Cc1cccc(F)c1Br
InChIInChI=1S/C16H16BrF2N/c1-16(20,9-11-4-2-6-13(18)8-11)10-12-5-3-7-14(19)15(12)17/h2-8H,9-10,20H2,1H3
InChIKeyWIKBFYIMWRZMJY-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114834078
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
2-[(2-bromo-3-fluorophenyl)methyl]-2-fluoropentan-1-amine
CID 112567783
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 114834047
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
1-(3-fluorophenyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 114834111

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine (CID 114833945) is 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine is CC(N)(Cc1cccc(F)c1)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is WIKBFYIMWRZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-16(20,9-11-4-2-6-13(18)8-11)10-12-5-3-7-14(19)15(12)17/h2-8H,9-10,20H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 340.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114833945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).