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

C11H22F3NO2 — CID 62725863

IUPACN-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOCCNCC(C)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-10(8-15-5-7-16-2)4-3-6-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyQCURUZQEUHTQOF-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.22
Rot. Bonds10

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

N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62725863) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62725863
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC NameN-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCOCCNCC(C)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO2/c1-10(8-15-5-7-16-2)4-3-6-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyQCURUZQEUHTQOF-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.22
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

N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 65024338
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64663720
N-(2-methoxyethyl)-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151109
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
CID 106160068
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 114133320

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62725863) is N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is COCCNCC(C)CCCOCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is QCURUZQEUHTQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-10(8-15-5-7-16-2)4-3-6-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 2.22, 10 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-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62725863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).