N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C12H24F3NO2 — CID 62718814

IUPACN-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H24F3NO2/c1-3-4-11(9-16-6-8-17-2)5-7-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyVKRHXVXKVXMDBF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds11

About N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 62718814) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID62718814
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC NameN-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H24F3NO2/c1-3-4-11(9-16-6-8-17-2)5-7-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyVKRHXVXKVXMDBF-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
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-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
N-(2-methoxyethyl)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 55111767
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490524
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 61490795
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110586

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 62718814) is N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CCCC(CCOCC(F)(F)F)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is VKRHXVXKVXMDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-3-4-11(9-16-6-8-17-2)5-7-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 2.61, 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-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62718814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).