2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine

C16H24FN — CID 81417750

IUPAC2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FN/c1-5-16(6-2)13(10-15(16)18-4)12-7-8-14(17)11(3)9-12/h7-9,13,15,18H,5-6,10H2,1-4H3
InChIKeyZHSVNHBEKYLXCT-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.02
Rot. Bonds4

About 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine

2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine (PubChem CID 81417750) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
PubChem CID81417750
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
SMILESCCC1(CC)C(NC)CC1c1ccc(F)c(C)c1
InChIInChI=1S/C16H24FN/c1-5-16(6-2)13(10-15(16)18-4)12-7-8-14(17)11(3)9-12/h7-9,13,15,18H,5-6,10H2,1-4H3
InChIKeyZHSVNHBEKYLXCT-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine (CID 81417750) is 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine is CCC1(CC)C(NC)CC1c1ccc(F)c(C)c1.
What is the InChIKey of 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine?
The InChIKey is ZHSVNHBEKYLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-16(6-2)13(10-15(16)18-4)12-7-8-14(17)11(3)9-12/h7-9,13,15,18H,5-6,10H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine?
2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 81417750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).