N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine

C12H17BrFNO2 — CID 113368914

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCc1ccc(F)cc1Br)OC
InChIInChI=1S/C12H17BrFNO2/c1-16-8-11(17-2)7-15-6-9-3-4-10(14)5-12(9)13/h3-5,11,15H,6-8H2,1-2H3
InChIKeyIZHRHBADYPDBOJ-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.34
Rot. Bonds7

About N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine

N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine (PubChem CID 113368914) has the molecular formula C12H17BrFNO2 and a molecular weight of 306.18 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
PubChem CID113368914
Molecular FormulaC12H17BrFNO2
Molecular Weight306.18 g/mol
Exact Mass305.04
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCc1ccc(F)cc1Br)OC
InChIInChI=1S/C12H17BrFNO2/c1-16-8-11(17-2)7-15-6-9-3-4-10(14)5-12(9)13/h3-5,11,15H,6-8H2,1-2H3
InChIKeyIZHRHBADYPDBOJ-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 106263862
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115732113
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 114099391
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
2-bromo-1-(3-bromo-4-methoxybutyl)-4-fluorobenzene
CID 62318931
2-[3-[(2-bromo-4-fluorophenyl)methylamino]propoxy]ethanol
CID 103992524
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
6-[(2-bromo-4-fluorophenyl)methylamino]hexan-1-ol
CID 103924150
2-[[(2-bromo-4-fluorophenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073113

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine (CID 113368914) is N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine is COCC(CNCc1ccc(F)cc1Br)OC.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine?
The InChIKey is IZHRHBADYPDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2/c1-16-8-11(17-2)7-15-6-9-3-4-10(14)5-12(9)13/h3-5,11,15H,6-8H2,1-2H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine has a molecular weight of 306.18 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 113368914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).