N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine

C16H18N2O — CID 110839888

IUPACN-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESCCOc1cccc(C=NNCc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-2-19-16-10-6-9-15(11-16)13-18-17-12-14-7-4-3-5-8-14/h3-11,13,17H,2,12H2,1H3
InChIKeyYTHXTJWJKHPDPQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.21
Rot. Bonds6

About N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine

N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 110839888) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
PubChem CID110839888
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
SMILESCCOc1cccc(C=NNCc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-2-19-16-10-6-9-15(11-16)13-18-17-12-14-7-4-3-5-8-14/h3-11,13,17H,2,12H2,1H3
InChIKeyYTHXTJWJKHPDPQ-UHFFFAOYSA-N
XLogP3.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.21
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'}

Analyze N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine 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

N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839836
1-benzyl-3-[(Z)-(3-propoxyphenyl)methylideneamino]thiourea
CID 112538696
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839881
N-butyl-1-(3-ethoxyphenyl)methanimine
CID 584358
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
1-benzyl-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 1348293

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine (CID 110839888) is N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine is CCOc1cccc(C=NNCc2ccccc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is YTHXTJWJKHPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-19-16-10-6-9-15(11-16)13-18-17-12-14-7-4-3-5-8-14/h3-11,13,17H,2,12H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine?
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 254.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).