2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine

C15H24FNO — CID 166717657

IUPAC2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(COCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-5-17-14(10-18-11-15(2,3)4)12-8-6-7-9-13(12)16/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyFJCKKXQJXLFHSO-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.54
Rot. Bonds6

About 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine

2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine (PubChem CID 166717657) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
PubChem CID166717657
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(COCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-5-17-14(10-18-11-15(2,3)4)12-8-6-7-9-13(12)16/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyFJCKKXQJXLFHSO-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008231
N-ethyl-1-(2-fluorophenyl)-2-(oxetan-3-yloxy)ethanamine
CID 114058381
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
N-ethyl-1-(2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417518
1-(2-cyclobutylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216454
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475704
1-(2,3-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013124
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine (CID 166717657) is 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine is CCNC(COCC(C)(C)C)c1ccccc1F.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The InChIKey is FJCKKXQJXLFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-17-14(10-18-11-15(2,3)4)12-8-6-7-9-13(12)16/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine?
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine has a molecular weight of 253.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 166717657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).