1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine

C13H19BrFNO — CID 106648190

IUPAC1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)COC)c1cccc(Br)c1F
InChIInChI=1S/C13H19BrFNO/c1-9(8-17-3)7-12(16-2)10-5-4-6-11(14)13(10)15/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyUVLODXIPLBXCDU-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine

1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 106648190) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
PubChem CID106648190
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)COC)c1cccc(Br)c1F
InChIInChI=1S/C13H19BrFNO/c1-9(8-17-3)7-12(16-2)10-5-4-6-11(14)13(10)15/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyUVLODXIPLBXCDU-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(3-bromo-2-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107952556
1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105145062
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
1-(3-bromo-2-chlorophenyl)-2-methoxy-N-methylethanamine
CID 105008942
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(3-bromo-2-fluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107952811
1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 106646214

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine (CID 106648190) is 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine is CNC(CC(C)COC)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is UVLODXIPLBXCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-9(8-17-3)7-12(16-2)10-5-4-6-11(14)13(10)15/h4-6,9,12,16H,7-8H2,1-3H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine?
1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 304.20 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 106648190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).