N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine

C10H20F3NO — CID 82792763

IUPACN-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
SMILESCCNCC(C)(C)OCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-14-8-9(2,3)15-7-5-6-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyCLWDEGJNMXHRRO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

About N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine

N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine (PubChem CID 82792763) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
PubChem CID82792763
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
SMILESCCNCC(C)(C)OCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-14-8-9(2,3)15-7-5-6-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyCLWDEGJNMXHRRO-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
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-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
CID 62597446
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62353424
N-[[4-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513082
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
N-ethyl-2-methyl-2-(2-phenoxyethoxy)propan-1-amine
CID 62353597
2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-2-methylpropan-1-amine
CID 154406545
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62355608
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
1,1,1-trifluoro-4-(1,1,3,3,3-pentafluoropropoxy)butane
CID 88558628
N-ethyl-2-methoxy-2-methylpropan-1-amine;molecular hydrogen
CID 165411003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine (CID 82792763) is N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine is CCNCC(C)(C)OCCCC(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine?
The InChIKey is CLWDEGJNMXHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-14-8-9(2,3)15-7-5-6-10(11,12)13/h14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine?
N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine has a molecular weight of 227.27 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 N-ethyl-2-methyl-2-(4,4,4-trifluorobutoxy)propan-1-amine is sourced from PubChem (CID 82792763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).