N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

C13H19F3N2O — CID 16791138

IUPACN,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O/c1-3-18(4-2)12(9-17)10-5-7-11(8-6-10)19-13(14,15)16/h5-8,12H,3-4,9,17H2,1-2H3
InChIKeyMDFBKVRNXNPMBI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.93
Rot. Bonds6

About N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine

N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 16791138) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID16791138
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H19F3N2O/c1-3-18(4-2)12(9-17)10-5-7-11(8-6-10)19-13(14,15)16/h5-8,12H,3-4,9,17H2,1-2H3
InChIKeyMDFBKVRNXNPMBI-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 115985746
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
N-ethyl-N-methyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104604
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65386080
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 16791138) is N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is CCN(CC)C(CN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is MDFBKVRNXNPMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-18(4-2)12(9-17)10-5-7-11(8-6-10)19-13(14,15)16/h5-8,12H,3-4,9,17H2,1-2H3.
What are the key properties of N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 276.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 16791138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).