2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine

C14H21F2NO — CID 82004029

IUPAC2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(COCC(F)F)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21F2NO/c1-4-17-13(8-18-9-14(15)16)12-6-10(2)5-11(3)7-12/h5-7,13-14,17H,4,8-9H2,1-3H3
InChIKeyJAQXNPCBBJMITI-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.24
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine

2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 82004029) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine
PubChem CID82004029
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(COCC(F)F)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21F2NO/c1-4-17-13(8-18-9-14(15)16)12-6-10(2)5-11(3)7-12/h5-7,13-14,17H,4,8-9H2,1-3H3
InChIKeyJAQXNPCBBJMITI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 82004546
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
2-ethoxy-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105008082
3-(2,2-difluoroethoxy)-1-(2,5-dimethylfuran-3-yl)-N-ethylpropan-1-amine
CID 103207491
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
CID 105007905

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine (CID 82004029) is 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine is CCNC(COCC(F)F)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is JAQXNPCBBJMITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-17-13(8-18-9-14(15)16)12-6-10(2)5-11(3)7-12/h5-7,13-14,17H,4,8-9H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine?
2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine has a molecular weight of 257.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 82004029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).