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

C11H13Br2F2N — CID 170866135

IUPAC3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(Br)cc(F)c(Br)c1F
InChIInChI=1S/C11H13Br2F2N/c1-16(2)5-3-4-7-8(12)6-9(14)10(13)11(7)15/h6H,3-5H2,1-2H3
InChIKeyZPAIFTLLBJFUBC-UHFFFAOYSA-N
MW357.04 g/mol
LogP3.98
Rot. Bonds4

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

3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866135) has the molecular formula C11H13Br2F2N and a molecular weight of 357.04 g/mol. Its IUPAC name is 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866135
Molecular FormulaC11H13Br2F2N
Molecular Weight357.04 g/mol
Exact Mass354.94
IUPAC Name3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1c(Br)cc(F)c(Br)c1F
InChIInChI=1S/C11H13Br2F2N/c1-16(2)5-3-4-7-8(12)6-9(14)10(13)11(7)15/h6H,3-5H2,1-2H3
InChIKeyZPAIFTLLBJFUBC-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dibromo-2-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865608
3-(4-bromo-2,6-difluorophenyl)-N,N-dimethylpropan-1-amine
CID 170865550
1,4-dibromo-3,5-difluoro-2-(fluoromethyl)benzene
CID 118836051
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
3-(4-aminobutyl)-4-bromo-6-fluorobenzene-1,2-diol
CID 117445578
4-(3-bromo-2,5,6-trifluorophenyl)butan-1-amine
CID 117115711
3-(2-bromo-5-chloro-1-benzothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 170866860
N-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 84806968
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine (CID 170866135) is 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1c(Br)cc(F)c(Br)c1F.
What is the InChIKey of 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is ZPAIFTLLBJFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2F2N/c1-16(2)5-3-4-7-8(12)6-9(14)10(13)11(7)15/h6H,3-5H2,1-2H3.
What are the key properties of 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine?
3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 357.04 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dibromo-2,4-difluorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).