N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine

C17H18N2O — CID 53232180

IUPACN-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine
SMILESCN/N=C/c1ccccc1/C=C/c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O/c1-18-19-13-16-6-4-3-5-15(16)10-7-14-8-11-17(20-2)12-9-14/h3-13,18H,1-2H3/b10-7+,19-13+
InChIKeyPFXWCNRWHNTMAP-CIOYMBLNSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds5

About N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine

N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine (PubChem CID 53232180) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine
PubChem CID53232180
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine
SMILESCN/N=C/c1ccccc1/C=C/c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O/c1-18-19-13-16-6-4-3-5-15(16)10-7-14-8-11-17(20-2)12-9-14/h3-13,18H,1-2H3/b10-7+,19-13+
InChIKeyPFXWCNRWHNTMAP-CIOYMBLNSA-N
XLogP3.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
CID 143158579
N-[(4-phenoxyphenyl)methylideneamino]methanamine
CID 110839619
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
4-[(Z)-[[6-methoxy-2-[(E)-2-phenylethenyl]quinolin-4-yl]hydrazinylidene]methyl]phenol
CID 136766562
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]acetonitrile
CID 170560531
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine?
The IUPAC name of N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine (CID 53232180) is N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine?
The canonical SMILES for N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine is CN/N=C/c1ccccc1/C=C/c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine?
The InChIKey is PFXWCNRWHNTMAP-CIOYMBLNSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-19-13-16-6-4-3-5-15(16)10-7-14-8-11-17(20-2)12-9-14/h3-13,18H,1-2H3/b10-7+,19-13+.
What are the key properties of N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine?
N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine is sourced from PubChem (CID 53232180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).