3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine

C11H14BrF2NO — CID 103516448

IUPAC3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(OC)c(Br)c1)C(F)F
InChIInChI=1S/C11H14BrF2NO/c1-15-9(11(13)14)6-7-3-4-10(16-2)8(12)5-7/h3-5,9,11,15H,6H2,1-2H3
InChIKeyCXZWRLJNYBSMCC-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.85
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine

3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516448) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516448
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(OC)c(Br)c1)C(F)F
InChIInChI=1S/C11H14BrF2NO/c1-15-9(11(13)14)6-7-3-4-10(16-2)8(12)5-7/h3-5,9,11,15H,6H2,1-2H3
InChIKeyCXZWRLJNYBSMCC-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715439
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725554
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115818264
1-(3-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 107952546
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516448) is 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccc(OC)c(Br)c1)C(F)F.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is CXZWRLJNYBSMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-15-9(11(13)14)6-7-3-4-10(16-2)8(12)5-7/h3-5,9,11,15H,6H2,1-2H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine?
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 294.14 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).