3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine

C16H24FN — CID 81417937

IUPAC3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(C)c(F)c2)C1(C)C
InChIInChI=1S/C16H24FN/c1-5-8-18-15-10-13(16(15,3)4)12-7-6-11(2)14(17)9-12/h6-7,9,13,15,18H,5,8,10H2,1-4H3
InChIKeyXHMWCKCDJIWBPH-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.02
Rot. Bonds4

About 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 81417937) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID81417937
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc(C)c(F)c2)C1(C)C
InChIInChI=1S/C16H24FN/c1-5-8-18-15-10-13(16(15,3)4)12-7-6-11(2)14(17)9-12/h6-7,9,13,15,18H,5,8,10H2,1-4H3
InChIKeyXHMWCKCDJIWBPH-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-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81416989
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine
CID 81418140
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
3-(3-fluoro-4-methylsulfanylphenyl)-N,2,2-trimethylcyclobutan-1-amine
CID 81417077
3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 81421409
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(3,4-dimethoxyphenyl)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 81418332
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
CID 81417750

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 81417937) is 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccc(C)c(F)c2)C1(C)C.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is XHMWCKCDJIWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-8-18-15-10-13(16(15,3)4)12-7-6-11(2)14(17)9-12/h6-7,9,13,15,18H,5,8,10H2,1-4H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-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 3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81417937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).