N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H16F2N2 — CID 114525058

IUPACN-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2/c1-15(2)5-3-4-14-11-7-9(12)6-10(13)8-11/h6-8,14H,3-5H2,1-2H3
InChIKeyHOBZWFOIXUPMIO-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.33
Rot. Bonds5

About N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine

N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114525058) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114525058
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2/c1-15(2)5-3-4-14-11-7-9(12)6-10(13)8-11/h6-8,14H,3-5H2,1-2H3
InChIKeyHOBZWFOIXUPMIO-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
N',N'-dimethyl-N-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 114525043
N-(5-fluoropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115749816
1-N-[3-(dimethylamino)propyl]-2,6-difluorobenzene-1,4-diamine
CID 61016451
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
N-(3-butan-2-yl-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 130434784
3,5-difluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115513493
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
N-[3-ethyl-5-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 71073177

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 114525058) is N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HOBZWFOIXUPMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-15(2)5-3-4-14-11-7-9(12)6-10(13)8-11/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114525058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).