1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C11H20F3NO — CID 62600415

IUPAC1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNC(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NO/c1-2-15-10(9-5-6-9)4-3-7-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyMWVJWGAVOMZIDY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62600415) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62600415
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNC(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3NO/c1-2-15-10(9-5-6-9)4-3-7-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyMWVJWGAVOMZIDY-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-ethyl-4-methoxybutan-1-amine
CID 114855905
1-cyclopentyl-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64565156
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
N-ethyl-5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161156
1-cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 63354833
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
CID 106797855
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N-ethyl-1-(2-phenylcyclopropyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148555
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62600415) is 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCNC(CCCOCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is MWVJWGAVOMZIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-15-10(9-5-6-9)4-3-7-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62600415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).