N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine

C16H24FNO — CID 114940872

IUPACN-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCCOC(C)(C)CNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-4-19-16(2,3)11-18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,13,15,18H,4,9-11H2,1-3H3
InChIKeyUVZXOVCTMUGKRV-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.48
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine

N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine (PubChem CID 114940872) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
PubChem CID114940872
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCCOC(C)(C)CNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-4-19-16(2,3)11-18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,13,15,18H,4,9-11H2,1-3H3
InChIKeyUVZXOVCTMUGKRV-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 82733626
3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
CID 60895802
3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
CID 61018189
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine (CID 114940872) is N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine is CCOC(C)(C)CNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine?
The InChIKey is UVZXOVCTMUGKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-4-19-16(2,3)11-18-15-9-13(10-15)12-6-5-7-14(17)8-12/h5-8,13,15,18H,4,9-11H2,1-3H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine?
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 114940872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).