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

C12H17BrFNO — CID 62318731

IUPAC4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
SMILESCNC(CCc1ccc(F)c(Br)c1)COC
InChIInChI=1S/C12H17BrFNO/c1-15-10(8-16-2)5-3-9-4-6-12(14)11(13)7-9/h4,6-7,10,15H,3,5,8H2,1-2H3
InChIKeyZQBGJVOJPDWPNY-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.76
Rot. Bonds6

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

4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine (PubChem CID 62318731) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
PubChem CID62318731
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine
SMILESCNC(CCc1ccc(F)c(Br)c1)COC
InChIInChI=1S/C12H17BrFNO/c1-15-10(8-16-2)5-3-9-4-6-12(14)11(13)7-9/h4,6-7,10,15H,3,5,8H2,1-2H3
InChIKeyZQBGJVOJPDWPNY-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105111283
4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
CID 62320365
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105111510
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804
1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
4-[(3-bromo-4-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876406
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-methoxy-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 62319829
1-(3-bromo-4-fluorophenyl)-N-methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475480

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine (CID 62318731) is 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine is CNC(CCc1ccc(F)c(Br)c1)COC.
What is the InChIKey of 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine?
The InChIKey is ZQBGJVOJPDWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-15-10(8-16-2)5-3-9-4-6-12(14)11(13)7-9/h4,6-7,10,15H,3,5,8H2,1-2H3.
What are the key properties of 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine?
4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine has a molecular weight of 290.18 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenyl)-1-methoxy-N-methylbutan-2-amine is sourced from PubChem (CID 62318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).