4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline

C14H15N3O — CID 143645839

IUPAC4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
SMILESC=C(NC)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H15N3O/c1-10(16-2)14-9-13(7-8-17-14)18-12-5-3-11(15)4-6-12/h3-9,16H,1,15H2,2H3
InChIKeyHPCIFDHOAQIDKO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.65
Rot. Bonds4

About 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline

4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline (PubChem CID 143645839) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline.

Molecular Properties

Compound Name4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
PubChem CID143645839
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
SMILESC=C(NC)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H15N3O/c1-10(16-2)14-9-13(7-8-17-14)18-12-5-3-11(15)4-6-12/h3-9,16H,1,15H2,2H3
InChIKeyHPCIFDHOAQIDKO-UHFFFAOYSA-N
XLogP2.65
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
CID 91098758
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
CID 23614583
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
N-[6-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]naphthalen-1-yl]-2-phenylacetamide
CID 143083701
4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 168541218
4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine
CID 142137196
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
CID 58272424
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline?
The IUPAC name of 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline (CID 143645839) is 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline.
What is the SMILES notation for 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline?
The canonical SMILES for 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline is C=C(NC)c1cc(Oc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline?
The InChIKey is HPCIFDHOAQIDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(16-2)14-9-13(7-8-17-14)18-12-5-3-11(15)4-6-12/h3-9,16H,1,15H2,2H3.
What are the key properties of 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline?
4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline has a molecular weight of 241.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline is sourced from PubChem (CID 143645839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).