1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine

C15H23F3N2 — CID 103109766

IUPAC1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2/c1-4-20(3)11-12(2)19-10-9-13-5-7-14(8-6-13)15(16,17)18/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeySVYCGOLQZGMBBZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.18
Rot. Bonds7

About 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine (PubChem CID 103109766) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
PubChem CID103109766
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2/c1-4-20(3)11-12(2)19-10-9-13-5-7-14(8-6-13)15(16,17)18/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeySVYCGOLQZGMBBZ-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
CID 104868043
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 103109740
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295944
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202
4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
CID 115715577
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
CID 35302797
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
CID 103110034
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
2-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoic acid
CID 55031151
1-N-ethyl-1-N-methyl-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 103109593

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine (CID 103109766) is 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine is CCN(C)CC(C)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
The InChIKey is SVYCGOLQZGMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-20(3)11-12(2)19-10-9-13-5-7-14(8-6-13)15(16,17)18/h5-8,12,19H,4,9-11H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine is sourced from PubChem (CID 103109766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).