1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine

C11H14BrF2N — CID 103852505

IUPAC1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H14BrF2N/c1-11(2,3)10(15)6-4-5-7(13)9(14)8(6)12/h4-5,10H,15H2,1-3H3
InChIKeyIRONBBJNSVDOQE-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.77
Rot. Bonds1

About 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine

1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 103852505) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID103852505
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H14BrF2N/c1-11(2,3)10(15)6-4-5-7(13)9(14)8(6)12/h4-5,10H,15H2,1-3H3
InChIKeyIRONBBJNSVDOQE-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol
CID 131611189
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
[1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 107541408
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine (CID 103852505) is 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is IRONBBJNSVDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-11(2,3)10(15)6-4-5-7(13)9(14)8(6)12/h4-5,10H,15H2,1-3H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine?
1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103852505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).