2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine

C15H24FNO — CID 62596985

IUPAC2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-15(5-2,12-17-9-10-18-3)13-7-6-8-14(16)11-13/h6-8,11,17H,4-5,9-10,12H2,1-3H3
InChIKeyUWEZKEUQHYMVAY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.12
Rot. Bonds8

About 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine

2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62596985) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID62596985
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CC)(CNCCOC)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-15(5-2,12-17-9-10-18-3)13-7-6-8-14(16)11-13/h6-8,11,17H,4-5,9-10,12H2,1-3H3
InChIKeyUWEZKEUQHYMVAY-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.12
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-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
2-ethyl-2-(3-fluorophenyl)-N-propylbutan-1-amine
CID 62595155
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-(3-chlorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 63517133
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
CID 62596589
2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
CID 114872011
2-(4-fluorophenyl)-N-(2-methoxyethyl)-2-propylpentan-1-amine
CID 62596406
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)butyl]carbamate
CID 106507136
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
tert-butyl N-[2-(3-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507141

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine (CID 62596985) is 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine is CCC(CC)(CNCCOC)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is UWEZKEUQHYMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-15(5-2,12-17-9-10-18-3)13-7-6-8-14(16)11-13/h6-8,11,17H,4-5,9-10,12H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine?
2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62596985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).