N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

C13H19F3N2 — CID 120843617

IUPACN,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H19F3N2/c1-10-8-12(13(14,15)16)5-4-11(10)9-18(3)7-6-17-2/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyJIRMLHYJVNLXFZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.67
Rot. Bonds5

About N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 120843617) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID120843617
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C13H19F3N2/c1-10-8-12(13(14,15)16)5-4-11(10)9-18(3)7-6-17-2/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyJIRMLHYJVNLXFZ-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205937
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
N'-[2-(4-tert-butyl-2-methylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227379
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl-methylamino]propanoic acid
CID 122037242
2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
CID 105472048
3-(methylamino)-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-one
CID 102756704
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
CID 143655992
N,N'-dimethyl-N'-[[5-[2-methyl-3-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 85473275
N,N'-dimethyl-N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine;hydrochloride
CID 120843626
2-[(4-tert-butyl-2-methylphenyl)methyl-methylamino]acetonitrile
CID 115131135

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (CID 120843617) is N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is JIRMLHYJVNLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-10-8-12(13(14,15)16)5-4-11(10)9-18(3)7-6-17-2/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.67, 5 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-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 120843617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).