1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine

C16H23F2NO — CID 103149403

IUPAC1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H23F2NO/c1-19-15(8-9-20-11-16(17)18)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10,12,15-16,19H,2,4-5,8-9,11H2,1H3
InChIKeyFLPYOSWXTQJHLQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.89
Rot. Bonds8

About 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine

1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (PubChem CID 103149403) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
PubChem CID103149403
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H23F2NO/c1-19-15(8-9-20-11-16(17)18)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10,12,15-16,19H,2,4-5,8-9,11H2,1H3
InChIKeyFLPYOSWXTQJHLQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114604522
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
[1-(3-cyclobutylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105342062
1-(3-cyclobutylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 114604710
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788
[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
CID 105213827

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (CID 103149403) is 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is CNC(CCOCC(F)F)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The InChIKey is FLPYOSWXTQJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-19-15(8-9-20-11-16(17)18)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10,12,15-16,19H,2,4-5,8-9,11H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 103149403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).