2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H20F3NO — CID 106706194

IUPAC2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NO/c1-3-15-6-10(2,9-4-5-9)7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyNQZLGDZNUTXZJV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106706194) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106706194
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NO/c1-3-15-6-10(2,9-4-5-9)7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyNQZLGDZNUTXZJV-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
CID 129278142
(3S,4R)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
CID 129278193
(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
CID 129290420
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
CID 153306615
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
CID 156566719
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 61491233
N-[3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine
CID 62530141
N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 62531098
N-[2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 62724547
N-ethyl-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724735
2,2-dimethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106706194) is 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNCC(C)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NQZLGDZNUTXZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-15-6-10(2,9-4-5-9)7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106706194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).