5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine

C15H24FNO — CID 105188238

IUPAC5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1ccc(F)cc1C)NC
InChIInChI=1S/C15H24FNO/c1-4-18-9-5-6-15(17-3)11-13-7-8-14(16)10-12(13)2/h7-8,10,15,17H,4-6,9,11H2,1-3H3
InChIKeyGIULMNWFKOQJNQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.08
Rot. Bonds8

About 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine

5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine (PubChem CID 105188238) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
PubChem CID105188238
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1ccc(F)cc1C)NC
InChIInChI=1S/C15H24FNO/c1-4-18-9-5-6-15(17-3)11-13-7-8-14(16)10-12(13)2/h7-8,10,15,17H,4-6,9,11H2,1-3H3
InChIKeyGIULMNWFKOQJNQ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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

4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 105142408
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine?
The IUPAC name of 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine (CID 105188238) is 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine?
The canonical SMILES for 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine is CCOCCCC(Cc1ccc(F)cc1C)NC.
What is the InChIKey of 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine?
The InChIKey is GIULMNWFKOQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-18-9-5-6-15(17-3)11-13-7-8-14(16)10-12(13)2/h7-8,10,15,17H,4-6,9,11H2,1-3H3.
What are the key properties of 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine?
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 105188238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).