2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine

C11H15BrFNO — CID 62337799

IUPAC2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-8(6-14-2)15-7-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyIHPIVEXDAQCFIM-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.71
Rot. Bonds5

About 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine

2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine (PubChem CID 62337799) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine
PubChem CID62337799
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine
SMILESCNCC(C)OCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFNO/c1-8(6-14-2)15-7-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyIHPIVEXDAQCFIM-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119742387
1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
N-methyl-2-(pyridin-4-ylmethoxy)propan-1-amine
CID 62335696
1-[4-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 102947327
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylpentan-2-amine
CID 43371868
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine (CID 62337799) is 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine is CNCC(C)OCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine?
The InChIKey is IHPIVEXDAQCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-8(6-14-2)15-7-9-3-4-11(13)10(12)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine?
2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine has a molecular weight of 276.15 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methoxy]-N-methylpropan-1-amine is sourced from PubChem (CID 62337799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).