1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

C11H20F3NO — CID 103148355

IUPAC1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)CC1CCC1
InChIInChI=1S/C11H20F3NO/c1-15-10(7-9-3-2-4-9)5-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyRBKZHRWESXHYPP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds7

About 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148355) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148355
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)CC1CCC1
InChIInChI=1S/C11H20F3NO/c1-15-10(7-9-3-2-4-9)5-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyRBKZHRWESXHYPP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-ethyl-4-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55221988

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148355) is 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is CNC(CCOCC(F)(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is RBKZHRWESXHYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-10(7-9-3-2-4-9)5-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).