N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine

C10H13F3N2 — CID 62809389

IUPACN',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(F)cc(F)c1F
InChIInChI=1S/C10H13F3N2/c1-15(2)4-3-14-9-6-7(11)5-8(12)10(9)13/h5-6,14H,3-4H2,1-2H3
InChIKeyAKGIQFLBCZXKFY-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.08
Rot. Bonds4

About N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine (PubChem CID 62809389) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine
PubChem CID62809389
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1cc(F)cc(F)c1F
InChIInChI=1S/C10H13F3N2/c1-15(2)4-3-14-9-6-7(11)5-8(12)10(9)13/h5-6,14H,3-4H2,1-2H3
InChIKeyAKGIQFLBCZXKFY-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
2,3,5-trifluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889889
2-(2,3,5-trifluoroanilino)acetonitrile
CID 62810613
2,3,5-trifluoro-N-(2-methylpropyl)aniline
CID 62811497
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
N-(3-ethylsulfonylpropyl)-2,3,5-trifluoroaniline
CID 65092951
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732
2-[2-(2,3,5-trifluoroanilino)ethoxy]ethanol
CID 62810263
2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
2-methyl-1-(2,3,5-trifluoroanilino)butan-2-ol
CID 114493086

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine (CID 62809389) is N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine is CN(C)CCNc1cc(F)cc(F)c1F.
What is the InChIKey of N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine?
The InChIKey is AKGIQFLBCZXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15(2)4-3-14-9-6-7(11)5-8(12)10(9)13/h5-6,14H,3-4H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine has a molecular weight of 218.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,3,5-trifluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 62809389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).