2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine

C15H19F2NO — CID 102647493

IUPAC2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1F)C1=CCCCO1
InChIInChI=1S/C15H19F2NO/c1-2-18-14(15-5-3-4-8-19-15)9-11-6-7-12(16)10-13(11)17/h5-7,10,14,18H,2-4,8-9H2,1H3
InChIKeyYAYXEMCFHKNRBB-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.18
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine

2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine (PubChem CID 102647493) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
PubChem CID102647493
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1F)C1=CCCCO1
InChIInChI=1S/C15H19F2NO/c1-2-18-14(15-5-3-4-8-19-15)9-11-6-7-12(16)10-13(11)17/h5-7,10,14,18H,2-4,8-9H2,1H3
InChIKeyYAYXEMCFHKNRBB-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethyl]hydrazine
CID 102649984
1,2-bis(2,4-difluorophenyl)-N-ethylethanamine
CID 63084221
2-(2,4-difluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62196079
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
2-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 64560633

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine (CID 102647493) is 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine is CCNC(Cc1ccc(F)cc1F)C1=CCCCO1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
The InChIKey is YAYXEMCFHKNRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-18-14(15-5-3-4-8-19-15)9-11-6-7-12(16)10-13(11)17/h5-7,10,14,18H,2-4,8-9H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine?
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylethanamine is sourced from PubChem (CID 102647493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).