N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C17H25F2NO — CID 65167622

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(F)c(F)c2)C1(C)CC
InChIInChI=1S/C17H25F2NO/c1-5-17(4)15(10-16(17)21-6-2)20-11(3)12-7-8-13(18)14(19)9-12/h7-9,11,15-16,20H,5-6,10H2,1-4H3
InChIKeyQWURYRXXJQEDSJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.21
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65167622) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65167622
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(F)c(F)c2)C1(C)CC
InChIInChI=1S/C17H25F2NO/c1-5-17(4)15(10-16(17)21-6-2)20-11(3)12-7-8-13(18)14(19)9-12/h7-9,11,15-16,20H,5-6,10H2,1-4H3
InChIKeyQWURYRXXJQEDSJ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 81382778
3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 65167752
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 65168094
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850341
3-ethoxy-N-(1-ethoxypropan-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65169280
3-ethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295588

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 65167622) is N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is CCOC1CC(NC(C)c2ccc(F)c(F)c2)C1(C)CC.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is QWURYRXXJQEDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-5-17(4)15(10-16(17)21-6-2)20-11(3)12-7-8-13(18)14(19)9-12/h7-9,11,15-16,20H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65167622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).