ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

C13H28F3NO — CID 164918700

IUPACethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCC.COC(C)(CCN(C)CC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO.C2H6/c1-9(2)10(3,16-5)6-7-15(4)8-11(12,13)14;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyFNSQAZPZVUXFHW-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.96
Rot. Bonds6

About ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 164918700) has the molecular formula C13H28F3NO and a molecular weight of 271.37 g/mol. Its IUPAC name is ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Nameethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID164918700
Molecular FormulaC13H28F3NO
Molecular Weight271.37 g/mol
Exact Mass271.21
IUPAC Nameethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCC.COC(C)(CCN(C)CC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO.C2H6/c1-9(2)10(3,16-5)6-7-15(4)8-11(12,13)14;1-2/h9H,6-8H2,1-5H3;1-2H3
InChIKeyFNSQAZPZVUXFHW-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 117937214
ethane;3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 144800507
Ethane;4-methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 163257601
4-Methoxy-4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 163257602
ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 164919041
4-Tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
CID 167376071
4-Tert-butyl-1-(2,2-difluoropropyl)-4-methoxypiperidine
CID 169802917
1-(2,2-Difluoropropyl)-4-methoxy-4-methylpiperidine
CID 170355532
4-Methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 170587389
4-(1,1-Difluoroethyl)-1-ethyl-4-methoxypiperidine
CID 171831740
3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 164918701
3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 164919042

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 164918700) is ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is CC.COC(C)(CCN(C)CC(F)(F)F)C(C)C.
What is the InChIKey of ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is FNSQAZPZVUXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO.C2H6/c1-9(2)10(3,16-5)6-7-15(4)8-11(12,13)14;1-2/h9H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 164918700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).