N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine

C14H19F2NO — CID 113338705

IUPACN-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine
SMILESC=CCCOCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-3-4-9-18-10-8-17-11(2)14-12(15)6-5-7-13(14)16/h3,5-7,11,17H,1,4,8-10H2,2H3
InChIKeyVNXCXLLTISBWPZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.21
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine

N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine (PubChem CID 113338705) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine
PubChem CID113338705
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine
SMILESC=CCCOCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO/c1-3-4-9-18-10-8-17-11(2)14-12(15)6-5-7-13(14)16/h3,5-7,11,17H,1,4,8-10H2,2H3
InChIKeyVNXCXLLTISBWPZ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]but-3-en-1-amine
CID 115900114
1-(5-bromo-2-fluorophenyl)-N-(2-but-3-enoxyethyl)ethanamine
CID 113349199
N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine
CID 103852827
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
2-[1-(2-but-3-enoxyethylamino)ethyl]benzene-1,4-diol
CID 114183605
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-(2-but-3-enoxyethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 103904996
2-[1-(but-3-enylamino)ethyl]benzene-1,3-diol
CID 107711262
1-(1,3-benzodioxol-5-yl)-N-(2-but-3-enoxyethyl)ethanamine
CID 103905055
3-(2-but-3-enoxyethylamino)butan-2-ol
CID 106401424
1-(3-bromophenyl)-N-(2-but-3-enoxyethyl)propan-1-amine
CID 113349211

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine (CID 113338705) is N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine is C=CCCOCCNC(C)c1c(F)cccc1F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine?
The InChIKey is VNXCXLLTISBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-4-9-18-10-8-17-11(2)14-12(15)6-5-7-13(14)16/h3,5-7,11,17H,1,4,8-10H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine?
N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-1-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 113338705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).