N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline

C19H17N3O — CID 169383822

IUPACN-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C19H17N3O/c1-2-6-17(7-3-1)22-21-14-16-9-11-19(12-10-16)23-15-18-8-4-5-13-20-18/h1-14,22H,15H2
InChIKeyPZOJZAMIHGRSHW-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.11
Rot. Bonds6

About N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline

N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline (PubChem CID 169383822) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
PubChem CID169383822
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C19H17N3O/c1-2-6-17(7-3-1)22-21-14-16-9-11-19(12-10-16)23-15-18-8-4-5-13-20-18/h1-14,22H,15H2
InChIKeyPZOJZAMIHGRSHW-UHFFFAOYSA-N
XLogP4.11
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 139801856
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382186
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 5103936

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline (CID 169383822) is N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline?
The InChIKey is PZOJZAMIHGRSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-6-17(7-3-1)22-21-14-16-9-11-19(12-10-16)23-15-18-8-4-5-13-20-18/h1-14,22H,15H2.
What are the key properties of N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline?
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline has a molecular weight of 303.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).