2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine

C16H23F2NO2 — CID 115690084

IUPAC2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
SMILESCCOc1cc(CNCCC2CCC2)ccc1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-2-20-15-10-13(6-7-14(15)21-16(17)18)11-19-9-8-12-4-3-5-12/h6-7,10,12,16,19H,2-5,8-9,11H2,1H3
InChIKeyTYJAWJQIVGPUQV-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.97
Rot. Bonds9

About 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine

2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine (PubChem CID 115690084) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
PubChem CID115690084
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
SMILESCCOc1cc(CNCCC2CCC2)ccc1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-2-20-15-10-13(6-7-14(15)21-16(17)18)11-19-9-8-12-4-3-5-12/h6-7,10,12,16,19H,2-5,8-9,11H2,1H3
InChIKeyTYJAWJQIVGPUQV-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
CID 83231491
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanesulfonamide
CID 43552013
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
CID 63294117
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656067
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylbutan-2-ol
CID 63678697
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine (CID 115690084) is 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine is CCOc1cc(CNCCC2CCC2)ccc1OC(F)F.
What is the InChIKey of 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine?
The InChIKey is TYJAWJQIVGPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-2-20-15-10-13(6-7-14(15)21-16(17)18)11-19-9-8-12-4-3-5-12/h6-7,10,12,16,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine?
2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 115690084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).