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

C10H21F3N2O — CID 115718789

IUPACN-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCOCC(C)NCCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-4-16-7-9(2)14-5-6-15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyMDPMCCIWVMPPSU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds8

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

N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 115718789) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID115718789
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCOCC(C)NCCN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-4-16-7-9(2)14-5-6-15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3
InChIKeyMDPMCCIWVMPPSU-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
(2,2-Difluoroethyl)[2-(morpholin-4-yl)ethyl]amine
CID 50896662
N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61492430
N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 62342201
N'-methyl-N-propyl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65804100
N'-methyl-N-propan-2-yl-N'-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805213
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethoxy)ethyl]ethane-1,2-diamine
CID 65805830
1-[2-(1,1-Difluoroethoxy)ethyl]piperazine
CID 144612190
4-(1,3-difluoropropan-2-yl)-N-methylmorpholin-2-amine
CID 152449269
4-[2-(propan-2-ylamino)ethoxy]-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 155183422
Ethane;1-methyl-3-(trifluoromethoxymethyl)piperazine
CID 169184234
N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine
CID 170104491

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 115718789) is N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCOCC(C)NCCN(C)CC(F)(F)F.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is MDPMCCIWVMPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-4-16-7-9(2)14-5-6-15(3)8-10(11,12)13/h9,14H,4-8H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 115718789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).