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

C16H24FN — CID 81417219

IUPACN,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)c(C)c2)C1(C)CC
InChIInChI=1S/C16H24FN/c1-5-16(4)13(10-15(16)18-6-2)12-7-8-14(17)11(3)9-12/h7-9,13,15,18H,5-6,10H2,1-4H3
InChIKeyUBDSWAODFTZYLC-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.02
Rot. Bonds4

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

N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine (PubChem CID 81417219) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
PubChem CID81417219
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)c(C)c2)C1(C)CC
InChIInChI=1S/C16H24FN/c1-5-16(4)13(10-15(16)18-6-2)12-7-8-14(17)11(3)9-12/h7-9,13,15,18H,5-6,10H2,1-4H3
InChIKeyUBDSWAODFTZYLC-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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Related Compounds

2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
CID 81417750
3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 82973433
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
CID 81418058
3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 81418332
3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417937
3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932
3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 81416391
3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66357548
2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417330
N,2-diethyl-3-(5-ethylthiophen-2-yl)-2-methylcyclobutan-1-amine
CID 81416908
3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81416793

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine (CID 81417219) is N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine is CCNC1CC(c2ccc(F)c(C)c2)C1(C)CC.
What is the InChIKey of N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine?
The InChIKey is UBDSWAODFTZYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-16(4)13(10-15(16)18-6-2)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 N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine?
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-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 N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81417219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).