2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine

C16H24F3NO — CID 62596429

IUPAC2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(CC)(CNCCOC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-4-15(5-2,12-20-9-10-21-3)13-7-6-8-14(11-13)16(17,18)19/h6-8,11,20H,4-5,9-10,12H2,1-3H3
InChIKeyNYXXASIGDVSDJF-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.00
Rot. Bonds8

About 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 62596429) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID62596429
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(CC)(CNCCOC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H24F3NO/c1-4-15(5-2,12-20-9-10-21-3)13-7-6-8-14(11-13)16(17,18)19/h6-8,11,20H,4-5,9-10,12H2,1-3H3
InChIKeyNYXXASIGDVSDJF-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.00
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-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 63511400
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 62595704
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
CID 62596589
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 62596429) is 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine is CCC(CC)(CNCCOC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is NYXXASIGDVSDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-4-15(5-2,12-20-9-10-21-3)13-7-6-8-14(11-13)16(17,18)19/h6-8,11,20H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 62596429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).