1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine

C12H16BrF2N — CID 116790603

IUPAC1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
SMILESCC(CBr)N(C)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H16BrF2N/c1-10(8-13)16(2)9-12(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyTWSPFXGJHKEGSO-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.49
Rot. Bonds5

About 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine

1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine (PubChem CID 116790603) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
PubChem CID116790603
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
SMILESCC(CBr)N(C)CC(F)(F)c1ccccc1
InChIInChI=1S/C12H16BrF2N/c1-10(8-13)16(2)9-12(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyTWSPFXGJHKEGSO-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
CID 116789388
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
CID 116790403
1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
CID 116790609
2-[(2,2-difluoro-2-phenylethyl)-ethylamino]ethanethioamide
CID 116789419
1-[methyl(4-methylpentan-2-yl)amino]-2-phenylpropan-2-ol
CID 55068286
2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
CID 116789418
3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 116789548
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211
(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene
CID 134214905
N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632139

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine?
The IUPAC name of 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine (CID 116790603) is 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine is CC(CBr)N(C)CC(F)(F)c1ccccc1.
What is the InChIKey of 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine?
The InChIKey is TWSPFXGJHKEGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-10(8-13)16(2)9-12(14,15)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine?
1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine has a molecular weight of 292.17 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 116790603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).