3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine

C11H14BrF2N — CID 170865550

IUPAC3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-15(2)5-3-4-9-10(13)6-8(12)7-11(9)14/h6-7H,3-5H2,1-2H3
InChIKeyAFRYUIKSJQGPPC-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine

3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865550) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865550
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H14BrF2N/c1-15(2)5-3-4-9-10(13)6-8(12)7-11(9)14/h6-7H,3-5H2,1-2H3
InChIKeyAFRYUIKSJQGPPC-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine (CID 170865550) is 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1c(F)cc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is AFRYUIKSJQGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c1-15(2)5-3-4-9-10(13)6-8(12)7-11(9)14/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine?
3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).