N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H28F3NO2 — CID 83151109

IUPACN-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOCCNCC(C)(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO2/c1-12(2)13(3,10-18-7-9-19-4)6-5-8-20-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyUDYBGVDZQIRPGV-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.24
Rot. Bonds11

About N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83151109) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83151109
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOCCNCC(C)(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO2/c1-12(2)13(3,10-18-7-9-19-4)6-5-8-20-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyUDYBGVDZQIRPGV-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83151326
5-ethylsulfanyl-N-(2-methoxyethyl)-2-methyl-2-propan-2-ylpentan-1-amine
CID 113474321
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
N-(2-methoxyethyl)-2,4,6-trimethyl-2-propan-2-ylheptan-1-amine
CID 114201279
N-(2-methoxyethyl)-2,3-dimethyl-2-(2-phenoxyethyl)butan-1-amine
CID 83151570
N-ethyl-2-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83159390

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83151109) is N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is COCCNCC(C)(CCCOCC(F)(F)F)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is UDYBGVDZQIRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2/c1-12(2)13(3,10-18-7-9-19-4)6-5-8-20-11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).