N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane

C15H26F2N2O — CID 144693010

IUPACN'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane
SMILESCC.Cc1ccc(N(C)CCN(C)C)cc1OC(F)F
InChIInChI=1S/C13H20F2N2O.C2H6/c1-10-5-6-11(9-12(10)18-13(14)15)17(4)8-7-16(2)3;1-2/h5-6,9,13H,7-8H2,1-4H3;1-2H3
InChIKeyBEZLZOIUANJSRC-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.62
Rot. Bonds6

About N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane

N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane (PubChem CID 144693010) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane
PubChem CID144693010
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC NameN'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane
SMILESCC.Cc1ccc(N(C)CCN(C)C)cc1OC(F)F
InChIInChI=1S/C13H20F2N2O.C2H6/c1-10-5-6-11(9-12(10)18-13(14)15)17(4)8-7-16(2)3;1-2/h5-6,9,13H,7-8H2,1-4H3;1-2H3
InChIKeyBEZLZOIUANJSRC-UHFFFAOYSA-N
XLogP3.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
N'-[4-(bromomethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107083669
1-N-[3-(dimethylamino)propyl]-1-N,4-dimethylbenzene-1,3-diamine
CID 63694283
ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline
CID 143900319
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
ethyl 3-(difluoromethoxy)-4-methylbenzoate
CID 153338656
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220482
3-methoxy-4-methyl-N,N-dipropylaniline
CID 67208536
N-(2-chloroethyl)-4-fluoro-N,3-dimethylaniline
CID 115214678

Frequently Asked Questions

What is the IUPAC name of N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane?
The IUPAC name of N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane (CID 144693010) is N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane?
The canonical SMILES for N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane is CC.Cc1ccc(N(C)CCN(C)C)cc1OC(F)F.
What is the InChIKey of N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane?
The InChIKey is BEZLZOIUANJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O.C2H6/c1-10-5-6-11(9-12(10)18-13(14)15)17(4)8-7-16(2)3;1-2/h5-6,9,13H,7-8H2,1-4H3;1-2H3.
What are the key properties of N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane?
N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane has a molecular weight of 288.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane is sourced from PubChem (CID 144693010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).