3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine

C15H24FN — CID 82923277

IUPAC3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FN/c1-5-12(6-2)10-15(17-4)14-8-7-13(16)9-11(14)3/h7-9,12,15,17H,5-6,10H2,1-4H3
InChIKeyOXQSKHWLZMKNNB-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.22
Rot. Bonds6

About 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine

3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine (PubChem CID 82923277) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
PubChem CID82923277
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FN/c1-5-12(6-2)10-15(17-4)14-8-7-13(16)9-11(14)3/h7-9,12,15,17H,5-6,10H2,1-4H3
InChIKeyOXQSKHWLZMKNNB-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
3-ethyl-1-(5-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 63416460
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(2-chloro-4-fluorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 63419888
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2-chloro-4-methylphenyl)-3-ethyl-N-methylpentan-1-amine
CID 106858447
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 116716584
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine (CID 82923277) is 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine is CCC(CC)CC(NC)c1ccc(F)cc1C.
What is the InChIKey of 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
The InChIKey is OXQSKHWLZMKNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-12(6-2)10-15(17-4)14-8-7-13(16)9-11(14)3/h7-9,12,15,17H,5-6,10H2,1-4H3.
What are the key properties of 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine?
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 82923277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).