1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine

C11H15BrFN — CID 114978285

IUPAC1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cccc(F)c1Br)C(C)C
InChIInChI=1S/C11H15BrFN/c1-7(2)11(14-3)8-5-4-6-9(13)10(8)12/h4-7,11,14H,1-3H3
InChIKeyDDKRVBXHJZLTOE-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.50
Rot. Bonds3

About 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine

1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 114978285) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID114978285
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1cccc(F)c1Br)C(C)C
InChIInChI=1S/C11H15BrFN/c1-7(2)11(14-3)8-5-4-6-9(13)10(8)12/h4-7,11,14H,1-3H3
InChIKeyDDKRVBXHJZLTOE-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017295
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpentan-1-amine
CID 107893716
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 115801020
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830097
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(2-bromo-3-fluorophenyl)-N-methylheptan-1-amine
CID 115833205
1-(2-chloro-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017259
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 114978285) is 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine is CNC(c1cccc(F)c1Br)C(C)C.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is DDKRVBXHJZLTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-7(2)11(14-3)8-5-4-6-9(13)10(8)12/h4-7,11,14H,1-3H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine?
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.50, 3 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)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114978285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).