4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline

C14H14N2O — CID 91098758

IUPAC4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
SMILESC=C(C)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H14N2O/c1-10(2)14-9-13(7-8-16-14)17-12-5-3-11(15)4-6-12/h3-9H,1,15H2,2H3
InChIKeyDATMKPQRSYEJKH-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.49
Rot. Bonds3

About 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline

4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline (PubChem CID 91098758) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
PubChem CID91098758
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline
SMILESC=C(C)c1cc(Oc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H14N2O/c1-10(2)14-9-13(7-8-16-14)17-12-5-3-11(15)4-6-12/h3-9H,1,15H2,2H3
InChIKeyDATMKPQRSYEJKH-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]aniline
CID 143645839
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
CID 58272424
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine
CID 142137196
4-(4-aminophenoxy)aniline
CID 161415647
4-(4-aminophenoxy)-N-(1-cyclobutylethenyl)pyridin-2-amine;cyclopropane
CID 142137195
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline?
The IUPAC name of 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline (CID 91098758) is 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline?
The canonical SMILES for 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline is C=C(C)c1cc(Oc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline?
The InChIKey is DATMKPQRSYEJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10(2)14-9-13(7-8-16-14)17-12-5-3-11(15)4-6-12/h3-9H,1,15H2,2H3.
What are the key properties of 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline?
4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline has a molecular weight of 226.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-1-en-2-yl-4-pyridinyl)oxy]aniline is sourced from PubChem (CID 91098758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).