N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine

C16H16BrF2N — CID 106263718

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H16BrF2N/c1-11(12-5-3-2-4-6-12)9-20-10-13-15(18)8-7-14(17)16(13)19/h2-8,11,20H,9-10H2,1H3
InChIKeyGZZASMZJVNHYDO-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.62
Rot. Bonds5

About N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine (PubChem CID 106263718) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
PubChem CID106263718
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H16BrF2N/c1-11(12-5-3-2-4-6-12)9-20-10-13-15(18)8-7-14(17)16(13)19/h2-8,11,20H,9-10H2,1H3
InChIKeyGZZASMZJVNHYDO-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-2,6-difluorophenyl)methyl]-3-phenylbutan-1-amine
CID 106263436
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylpropan-1-amine
CID 106942499
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-chloropropan-1-amine
CID 106272287
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
CID 106263465
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 106263862
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
4-[(3-bromo-2,6-difluorophenyl)methylamino]butan-2-ol
CID 106263499
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,2,3-trimethylbutan-1-amine
CID 114165733
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 114165705
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylsulfanylbutan-1-amine
CID 106263759

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine (CID 106263718) is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine is CC(CNCc1c(F)ccc(Br)c1F)c1ccccc1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is GZZASMZJVNHYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-11(12-5-3-2-4-6-12)9-20-10-13-15(18)8-7-14(17)16(13)19/h2-8,11,20H,9-10H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 106263718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).