2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

C14H28F3NO — CID 83151326

IUPAC2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCC(C)CNCC(C)(CCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)8-18-9-13(5,12(3)4)6-7-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyHDILOOGUJYUALA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.86
Rot. Bonds9

About 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (PubChem CID 83151326) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
PubChem CID83151326
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCC(C)CNCC(C)(CCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)8-18-9-13(5,12(3)4)6-7-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyHDILOOGUJYUALA-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.86
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

2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2-(2-methoxyethyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83150406
N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151109
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139638
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230
N-ethyl-2-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83159390
2,2-dimethyl-N-(2-methylpropyl)-3-(2-propan-2-yloxyethoxy)propan-1-amine
CID 79621624
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (CID 83151326) is 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is CC(C)CNCC(C)(CCOCC(F)(F)F)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The InChIKey is HDILOOGUJYUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-11(2)8-18-9-13(5,12(3)4)6-7-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 83151326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).