1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine

C14H20F4N2 — CID 103110034

IUPAC1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H20F4N2/c1-4-20(3)9-10(2)19-8-11-6-5-7-12(13(11)15)14(16,17)18/h5-7,10,19H,4,8-9H2,1-3H3
InChIKeyWVZNJLMJVIDBIN-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.27
Rot. Bonds6

About 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine

1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine (PubChem CID 103110034) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
PubChem CID103110034
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H20F4N2/c1-4-20(3)9-10(2)19-8-11-6-5-7-12(13(11)15)14(16,17)18/h5-7,10,19H,4,8-9H2,1-3H3
InChIKeyWVZNJLMJVIDBIN-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 104867846
1-N-ethyl-1-N-methyl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 103109677
1-N-ethyl-1-N-methyl-2-N-[[3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 103109740
2-N-[(2-aminophenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106703561
1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703560
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-1-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
CID 126427820
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
CID 103109766
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine (CID 103110034) is 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine is CCN(C)CC(C)NCc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine?
The InChIKey is WVZNJLMJVIDBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-4-20(3)9-10(2)19-8-11-6-5-7-12(13(11)15)14(16,17)18/h5-7,10,19H,4,8-9H2,1-3H3.
What are the key properties of 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine?
1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine has a molecular weight of 292.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103110034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).