3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine

C15H22FNO — CID 112553182

IUPAC3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(C)c(F)c2)C1
InChIInChI=1S/C15H22FNO/c1-4-18-14-8-13(9-14)17-11(3)12-6-5-10(2)15(16)7-12/h5-7,11,13-14,17H,4,8-9H2,1-3H3
InChIKeyNXEPFNYWBOYTGE-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.35
Rot. Bonds5

About 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine

3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 112553182) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID112553182
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(C)c(F)c2)C1
InChIInChI=1S/C15H22FNO/c1-4-18-14-8-13(9-14)17-11(3)12-6-5-10(2)15(16)7-12/h5-7,11,13-14,17H,4,8-9H2,1-3H3
InChIKeyNXEPFNYWBOYTGE-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
1-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80562217
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 115903398
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 112554444
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81297104
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine (CID 112553182) is 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2ccc(C)c(F)c2)C1.
What is the InChIKey of 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is NXEPFNYWBOYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-4-18-14-8-13(9-14)17-11(3)12-6-5-10(2)15(16)7-12/h5-7,11,13-14,17H,4,8-9H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 112553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).