N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C9H19F3N2O — CID 62559356

IUPACN-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOCC(C)NCCN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(6-15-3)13-4-5-14(2)7-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeySGSIYRCDNOWSJS-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.11
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62559356) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62559356
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOCC(C)NCCN(C)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(6-15-3)13-4-5-14(2)7-9(10,11)12/h8,13H,4-7H2,1-3H3
InChIKeySGSIYRCDNOWSJS-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115718789
N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559719
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111836737
N-(1-methoxypropan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62574091
N'-(3,3-dimethylbutan-2-yl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555816
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560212
1-(1-methoxypropan-2-yloxy)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 106991777

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62559356) is N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is COCC(C)NCCN(C)CC(F)(F)F.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is SGSIYRCDNOWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(6-15-3)13-4-5-14(2)7-9(10,11)12/h8,13H,4-7H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62559356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).