1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine

C13H19F3N2O — CID 82945948

IUPAC1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-10(9-18(2)3)17-8-11-6-4-5-7-12(11)19-13(14,15)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyVTMPIRFWUSAIGG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.62
Rot. Bonds6

About 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine (PubChem CID 82945948) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
PubChem CID82945948
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
SMILESCC(CN(C)C)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-10(9-18(2)3)17-8-11-6-4-5-7-12(11)19-13(14,15)16/h4-7,10,17H,8-9H2,1-3H3
InChIKeyVTMPIRFWUSAIGG-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
1-N,1-N-dimethyl-2-N-[(2-prop-2-enoxyphenyl)methyl]propane-1,2-diamine
CID 82946208
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
2-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 107342451
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine (CID 82945948) is 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine is CC(CN(C)C)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
The InChIKey is VTMPIRFWUSAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-10(9-18(2)3)17-8-11-6-4-5-7-12(11)19-13(14,15)16/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine has a molecular weight of 276.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 82945948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).