N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine

C17H18F4N2O2 — CID 133370583

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCOc1ccc(C(C)Nc2c(F)c(F)nc(F)c2F)cc1OCC
InChIInChI=1S/C17H18F4N2O2/c1-4-24-11-7-6-10(8-12(11)25-5-2)9(3)22-15-13(18)16(20)23-17(21)14(15)19/h6-9H,4-5H2,1-3H3,(H,22,23)
InChIKeyYTRAMYIPQQCCAN-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.61
Rot. Bonds7

About N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133370583) has the molecular formula C17H18F4N2O2 and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133370583
Molecular FormulaC17H18F4N2O2
Molecular Weight358.34 g/mol
Exact Mass358.13
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCOc1ccc(C(C)Nc2c(F)c(F)nc(F)c2F)cc1OCC
InChIInChI=1S/C17H18F4N2O2/c1-4-24-11-7-6-10(8-12(11)25-5-2)9(3)22-15-13(18)16(20)23-17(21)14(15)19/h6-9H,4-5H2,1-3H3,(H,22,23)
InChIKeyYTRAMYIPQQCCAN-UHFFFAOYSA-N
XLogP4.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N-[1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56753060
4-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxyaniline
CID 103935795
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890755
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082
(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 9410199

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 133370583) is N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is CCOc1ccc(C(C)Nc2c(F)c(F)nc(F)c2F)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is YTRAMYIPQQCCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2O2/c1-4-24-11-7-6-10(8-12(11)25-5-2)9(3)22-15-13(18)16(20)23-17(21)14(15)19/h6-9H,4-5H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 358.34 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133370583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).