2-phenylmethoxyiminopyridin-1-amine

C12H13N3O — CID 131885261

IUPAC2-phenylmethoxyiminopyridin-1-amine
SMILESNn1ccccc1=NOCc1ccccc1
InChIInChI=1S/C12H13N3O/c13-15-9-5-4-8-12(15)14-16-10-11-6-2-1-3-7-11/h1-9H,10,13H2
InChIKeySAWLSMPXAGIWOM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.23
Rot. Bonds3

About 2-phenylmethoxyiminopyridin-1-amine

2-phenylmethoxyiminopyridin-1-amine (PubChem CID 131885261) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-phenylmethoxyiminopyridin-1-amine.

Molecular Properties

Compound Name2-phenylmethoxyiminopyridin-1-amine
PubChem CID131885261
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-phenylmethoxyiminopyridin-1-amine
SMILESNn1ccccc1=NOCc1ccccc1
InChIInChI=1S/C12H13N3O/c13-15-9-5-4-8-12(15)14-16-10-11-6-2-1-3-7-11/h1-9H,10,13H2
InChIKeySAWLSMPXAGIWOM-UHFFFAOYSA-N
XLogP1.23
TPSA52.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 87328565
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
3,4,5,6-tetrachloro-1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328504
N-phenylmethoxymethanimine
CID 561610
2-methyl-N-phenylmethoxy-1,3-dithian-5-imine
CID 2805584
(4E)-5-amino-2-methyl-4-phenylmethoxyiminopyrazol-3-one
CID 14698057
N-phenylmethoxy-10H-anthracen-9-imine
CID 174339688
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
1-N,4-N-bis(phenylmethoxy)cyclohexane-1,4-diimine;5,5-dimethyl-1-N,3-N-bis(phenylmethoxy)cyclohexane-1,3-diimine
CID 89297713
benzyl nitrite;cyclohexane
CID 175094734
1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylmethoxypiperidin-4-imine
CID 86656705
2-phenylmethoxyiminocyclohexan-1-one
CID 123257370

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyiminopyridin-1-amine?
The IUPAC name of 2-phenylmethoxyiminopyridin-1-amine (CID 131885261) is 2-phenylmethoxyiminopyridin-1-amine.
What is the SMILES notation for 2-phenylmethoxyiminopyridin-1-amine?
The canonical SMILES for 2-phenylmethoxyiminopyridin-1-amine is Nn1ccccc1=NOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyiminopyridin-1-amine?
The InChIKey is SAWLSMPXAGIWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-15-9-5-4-8-12(15)14-16-10-11-6-2-1-3-7-11/h1-9H,10,13H2.
What are the key properties of 2-phenylmethoxyiminopyridin-1-amine?
2-phenylmethoxyiminopyridin-1-amine has a molecular weight of 215.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyiminopyridin-1-amine is sourced from PubChem (CID 131885261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).