2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine

C18H19F4N3O — CID 133370616

IUPAC2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
SMILESCOc1ccccc1C(CNc1c(F)c(F)nc(F)c1F)N1CCCC1
InChIInChI=1S/C18H19F4N3O/c1-26-13-7-3-2-6-11(13)12(25-8-4-5-9-25)10-23-16-14(19)17(21)24-18(22)15(16)20/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,23,24)
InChIKeyOSBUENOTWRXDFL-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.90
Rot. Bonds6

About 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine (PubChem CID 133370616) has the molecular formula C18H19F4N3O and a molecular weight of 369.36 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
PubChem CID133370616
Molecular FormulaC18H19F4N3O
Molecular Weight369.36 g/mol
Exact Mass369.15
IUPAC Name2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine
SMILESCOc1ccccc1C(CNc1c(F)c(F)nc(F)c1F)N1CCCC1
InChIInChI=1S/C18H19F4N3O/c1-26-13-7-3-2-6-11(13)12(25-8-4-5-9-25)10-23-16-14(19)17(21)24-18(22)15(16)20/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,23,24)
InChIKeyOSBUENOTWRXDFL-UHFFFAOYSA-N
XLogP3.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.90
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-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyridin-2-amine
CID 133481541
2-(difluoromethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinazolin-4-amine
CID 56553723
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319501
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969828
2-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133382457
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 92813665
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023171
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 8023168
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine (CID 133370616) is 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine is COc1ccccc1C(CNc1c(F)c(F)nc(F)c1F)N1CCCC1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine?
The InChIKey is OSBUENOTWRXDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O/c1-26-13-7-3-2-6-11(13)12(25-8-4-5-9-25)10-23-16-14(19)17(21)24-18(22)15(16)20/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,23,24).
What are the key properties of 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine has a molecular weight of 369.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyridin-4-amine is sourced from PubChem (CID 133370616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).