2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine

C16H32F3NO — CID 62726032

IUPAC2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
SMILESCCCCC(CC)(CCCOCC(F)(F)F)CNCCC
InChIInChI=1S/C16H32F3NO/c1-4-7-9-15(6-3,13-20-11-5-2)10-8-12-21-14-16(17,18)19/h20H,4-14H2,1-3H3
InChIKeyKNJHQRHIMKFJGQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.93
Rot. Bonds13

About 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine

2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine (PubChem CID 62726032) has the molecular formula C16H32F3NO and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
PubChem CID62726032
Molecular FormulaC16H32F3NO
Molecular Weight311.43 g/mol
Exact Mass311.24
IUPAC Name2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
SMILESCCCCC(CC)(CCCOCC(F)(F)F)CNCCC
InChIInChI=1S/C16H32F3NO/c1-4-7-9-15(6-3,13-20-11-5-2)10-8-12-21-14-16(17,18)19/h20H,4-14H2,1-3H3
InChIKeyKNJHQRHIMKFJGQ-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.93
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-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2-(3-ethoxypropyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 65178147
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine (CID 62726032) is 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine is CCCCC(CC)(CCCOCC(F)(F)F)CNCCC.
What is the InChIKey of 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
The InChIKey is KNJHQRHIMKFJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F3NO/c1-4-7-9-15(6-3,13-20-11-5-2)10-8-12-21-14-16(17,18)19/h20H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine?
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine is sourced from PubChem (CID 62726032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).