2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine

C15H15N3O — CID 88530630

IUPAC2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
SMILES[C-]#[N+]c1cc(CCN)ccc1Oc1ccc(C)cn1
InChIInChI=1S/C15H15N3O/c1-11-3-6-15(18-10-11)19-14-5-4-12(7-8-16)9-13(14)17-2/h3-6,9-10H,7-8,16H2,1H3
InChIKeyQWGXOJVJISAYSJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.23
Rot. Bonds4

About 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine

2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 88530630) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
PubChem CID88530630
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
SMILES[C-]#[N+]c1cc(CCN)ccc1Oc1ccc(C)cn1
InChIInChI=1S/C15H15N3O/c1-11-3-6-15(18-10-11)19-14-5-4-12(7-8-16)9-13(14)17-2/h3-6,9-10H,7-8,16H2,1H3
InChIKeyQWGXOJVJISAYSJ-UHFFFAOYSA-N
XLogP3.23
TPSA52.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
CID 67952588
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
2-[6-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 80639711
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 80640346
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
2-[6-(2,3-dichlorophenoxy)-3-pyridinyl]ethanamine
CID 80639795
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595

Frequently Asked Questions

What is the IUPAC name of 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine (CID 88530630) is 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine is [C-]#[N+]c1cc(CCN)ccc1Oc1ccc(C)cn1.
What is the InChIKey of 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is QWGXOJVJISAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-3-6-15(18-10-11)19-14-5-4-12(7-8-16)9-13(14)17-2/h3-6,9-10H,7-8,16H2,1H3.
What are the key properties of 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine has a molecular weight of 253.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 88530630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).