4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline

C16H17Cl2N3O2 — CID 164565649

IUPAC4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline
SMILES[H]/N=C(\C)c1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(OC)cc1N
InChIInChI=1S/C16H17Cl2N3O2/c1-8(19)10-4-15(14(22-3)5-13(10)20)23-9(2)16-11(17)6-21-7-12(16)18/h4-7,9,19H,20H2,1-3H3/b19-8+/t9-/m1/s1
InChIKeyDPAQLRRTEMBZBH-HURAESQDSA-N
MW354.24 g/mol
LogP4.51
Rot. Bonds5

About 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline

4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline (PubChem CID 164565649) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline.

Molecular Properties

Compound Name4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline
PubChem CID164565649
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline
SMILES[H]/N=C(\C)c1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(OC)cc1N
InChIInChI=1S/C16H17Cl2N3O2/c1-8(19)10-4-15(14(22-3)5-13(10)20)23-9(2)16-11(17)6-21-7-12(16)18/h4-7,9,19H,20H2,1-3H3/b19-8+/t9-/m1/s1
InChIKeyDPAQLRRTEMBZBH-HURAESQDSA-N
XLogP4.51
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-[3,5-difluoro-4-(2-methylsulfinyl-2,6-diazaspiro[3.3]heptan-6-yl)benzenecarboximidoyl]-5-methoxyaniline
CID 164565609
5-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-4-methoxybenzenecarboximidoyl]-2-[3-amino-3-(methylaminomethyl)azetidin-1-yl]pyridine-3-carbonitrile
CID 171827724
2-[2-amino-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]phenyl]-2-iminoacetaldehyde
CID 126481518
5-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-4-methoxybenzenecarboximidoyl]-2-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-methylazetidin-1-yl]pyridine-3-carbonitrile
CID 171827776
5-[2-amino-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-4-methoxybenzenecarboximidoyl]-2-[3-amino-3-[(4-methyl-1,3-thiazol-2-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 170708933
2-(6-chloropyridazine-3-carboximidoyl)-4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]aniline
CID 170708740
2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline
CID 144694376
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
3,5-dichloro-4-[(1R)-1-methoxyethyl]pyridine
CID 167156090
3,5-dichloro-4-(1-methoxyethyl)pyridine
CID 145231321
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-5-fluoro-2-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyridine-3-carboximidoyl]aniline
CID 167155998
4-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-5-fluoro-2-(6-piperidin-1-yl-1H-benzimidazole-2-carboximidoyl)aniline
CID 145231338

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline?
The IUPAC name of 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline (CID 164565649) is 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline.
What is the SMILES notation for 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline?
The canonical SMILES for 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline is [H]/N=C(\C)c1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(OC)cc1N.
What is the InChIKey of 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline?
The InChIKey is DPAQLRRTEMBZBH-HURAESQDSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-8(19)10-4-15(14(22-3)5-13(10)20)23-9(2)16-11(17)6-21-7-12(16)18/h4-7,9,19H,20H2,1-3H3/b19-8+/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline?
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline has a molecular weight of 354.24 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline is sourced from PubChem (CID 164565649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).