N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H16BrFN2 — CID 114525087

IUPACN-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-15(2)7-3-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyHINATLVYIVSUSC-UHFFFAOYSA-N
MW275.16 g/mol
LogP2.95
Rot. Bonds5

About N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114525087) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114525087
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC NameN-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-15(2)7-3-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyHINATLVYIVSUSC-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 52.95
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

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
5-bromo-2-fluoro-N-(4-methylpentyl)aniline
CID 83157091
N-(4-bromo-2-ethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525227
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
1-N-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 115200416
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
5-bromo-2-fluoro-N-(3-methylbut-3-enyl)aniline
CID 114472052
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 62914885
(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 114525087) is N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HINATLVYIVSUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-15(2)7-3-6-14-11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 275.16 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114525087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).