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

C15H14F4N2 — CID 133388060

IUPACN-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCc1cccc(C(C)Nc2c(F)c(F)nc(F)c2F)c1C
InChIInChI=1S/C15H14F4N2/c1-7-5-4-6-10(8(7)2)9(3)20-13-11(16)14(18)21-15(19)12(13)17/h4-6,9H,1-3H3,(H,20,21)
InChIKeyCEEHSRVMPZMSOL-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.43
Rot. Bonds3

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

N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 133388060) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID133388060
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC NameN-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCc1cccc(C(C)Nc2c(F)c(F)nc(F)c2F)c1C
InChIInChI=1S/C15H14F4N2/c1-7-5-4-6-10(8(7)2)9(3)20-13-11(16)14(18)21-15(19)12(13)17/h4-6,9H,1-3H3,(H,20,21)
InChIKeyCEEHSRVMPZMSOL-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]pyridin-4-amine
CID 133388022
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 103946610
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine
CID 155764999
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
N-[1-(3,4-diethoxyphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133370583
N-[1-(2,3-dimethylphenyl)ethyl]prop-2-yn-1-amine
CID 115706898
2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
(E)-N-[1-(2,3-dimethylphenyl)ethyl]pent-3-en-1-amine
CID 115890252

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 133388060) is N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is Cc1cccc(C(C)Nc2c(F)c(F)nc(F)c2F)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is CEEHSRVMPZMSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-7-5-4-6-10(8(7)2)9(3)20-13-11(16)14(18)21-15(19)12(13)17/h4-6,9H,1-3H3,(H,20,21).
What are the key properties of N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 298.28 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 133388060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).