N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H15BrF2N2 — CID 114525080

IUPACN-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H15BrF2N2/c1-16(2)5-3-4-15-11-9(12)6-8(13)7-10(11)14/h6-7,15H,3-5H2,1-2H3
InChIKeyNDXWUUDBYQISSI-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.09
Rot. Bonds5

About N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine

N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114525080) has the molecular formula C11H15BrF2N2 and a molecular weight of 293.15 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114525080
Molecular FormulaC11H15BrF2N2
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H15BrF2N2/c1-16(2)5-3-4-15-11-9(12)6-8(13)7-10(11)14/h6-7,15H,3-5H2,1-2H3
InChIKeyNDXWUUDBYQISSI-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4,6-difluoro-N-pentylaniline
CID 43347538
1-N-[3-(dimethylamino)propyl]-2,6-difluorobenzene-1,4-diamine
CID 61016451
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525058
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
2-bromo-4,6-difluoro-N-(3-methylbut-3-enyl)aniline
CID 114472022
2,6-dibromo-4-fluoro-N-pentylaniline
CID 69428325
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-[2-(2-bromo-4,6-difluoroanilino)ethoxy]ethanol
CID 61070702
5-(2-bromo-4,6-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063638

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 114525080) is N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is NDXWUUDBYQISSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2/c1-16(2)5-3-4-15-11-9(12)6-8(13)7-10(11)14/h6-7,15H,3-5H2,1-2H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 293.15 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114525080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).