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

C12H24F3NO2 — CID 62719188

IUPAC2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CCCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H24F3NO2/c1-3-11(9-16-6-8-17-2)5-4-7-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyZRAGRTJNGPZVID-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds11

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

2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62719188) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62719188
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCC(CCCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H24F3NO2/c1-3-11(9-16-6-8-17-2)5-4-7-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyZRAGRTJNGPZVID-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
(3S)-4-methyl-N-(trifluoromethyl)oxepan-3-amine
CID 155030374
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55082815
2-propan-2-yl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55082865
N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 55082869
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
N-(2-methylpropyl)-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083250
2-ethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083441
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62719188) is 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCC(CCCOCC(F)(F)F)CNCCOC.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is ZRAGRTJNGPZVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-3-11(9-16-6-8-17-2)5-4-7-18-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)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 2-ethyl-N-(2-methoxyethyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62719188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).