N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine

C11H14BrF2N — CID 115262544

IUPACN-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCBr)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14BrF2N/c1-11(2,6-15-7-12)8-3-4-9(13)10(14)5-8/h3-5,15H,6-7H2,1-2H3
InChIKeyDGEOLELWQPFOEZ-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.18
Rot. Bonds4

About N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine

N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine (PubChem CID 115262544) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
PubChem CID115262544
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC NameN-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(CNCBr)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14BrF2N/c1-11(2,6-15-7-12)8-3-4-9(13)10(14)5-8/h3-5,15H,6-7H2,1-2H3
InChIKeyDGEOLELWQPFOEZ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223528
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234381
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197053
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
N-(bromomethyl)-2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-amine
CID 115262519
2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]ethanethiol
CID 115224465
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
N-(bromomethyl)-2-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 115262607
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117729

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine (CID 115262544) is N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine is CC(C)(CNCBr)c1ccc(F)c(F)c1.
What is the InChIKey of N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine?
The InChIKey is DGEOLELWQPFOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-11(2,6-15-7-12)8-3-4-9(13)10(14)5-8/h3-5,15H,6-7H2,1-2H3.
What are the key properties of N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine?
N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-(3,4-difluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115262544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).