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

C13H20F3N3O — CID 65386080

IUPACN-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESCN(C)CCNC(CN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H20F3N3O/c1-19(2)8-7-18-12(9-17)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,12,18H,7-9,17H2,1-2H3
InChIKeyIWFLPROLKBHJFZ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.74
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 65386080) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID65386080
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESCN(C)CCNC(CN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H20F3N3O/c1-19(2)8-7-18-12(9-17)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,12,18H,7-9,17H2,1-2H3
InChIKeyIWFLPROLKBHJFZ-UHFFFAOYSA-N
XLogP1.74
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 115782110
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104668
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 16791138
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 65386080) is N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is CN(C)CCNC(CN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is IWFLPROLKBHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-19(2)8-7-18-12(9-17)10-3-5-11(6-4-10)20-13(14,15)16/h3-6,12,18H,7-9,17H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 291.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65386080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).