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

C11H22F3NO — CID 164918701

IUPAC3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCOC(C)(CCN(C)CC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-9(2)10(3,16-5)6-7-15(4)8-11(12,13)14/h9H,6-8H2,1-5H3
InChIKeyBGOILBPXCVLKFW-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.93
Rot. Bonds6

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

3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 164918701) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID164918701
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCOC(C)(CCN(C)CC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-9(2)10(3,16-5)6-7-15(4)8-11(12,13)14/h9H,6-8H2,1-5H3
InChIKeyBGOILBPXCVLKFW-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.93
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,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 164918700
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-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 164919042

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 164918701) is 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is COC(C)(CCN(C)CC(F)(F)F)C(C)C.
What is the InChIKey of 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is BGOILBPXCVLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)10(3,16-5)6-7-15(4)8-11(12,13)14/h9H,6-8H2,1-5H3.
What are the key properties of 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 164918701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).