N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine

C9H12N2O — CID 110339403

IUPACN-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OC)c1
InChIInChI=1S/C9H12N2O/c1-10-11-7-8-4-3-5-9(6-8)12-2/h3-7,10H,1-2H3/b11-7+
InChIKeyUHOQPXRDBAOUKZ-YRNVUSSQSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds3

About N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine

N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine (PubChem CID 110339403) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
PubChem CID110339403
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
SMILESCN/N=C/c1cccc(OC)c1
InChIInChI=1S/C9H12N2O/c1-10-11-7-8-4-3-5-9(6-8)12-2/h3-7,10H,1-2H3/b11-7+
InChIKeyUHOQPXRDBAOUKZ-YRNVUSSQSA-N
XLogP1.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
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-[(E)-(3-methoxyphenyl)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

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
1-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylguanidine
CID 166950258
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine (CID 110339403) is N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine is CN/N=C/c1cccc(OC)c1.
What is the InChIKey of N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine?
The InChIKey is UHOQPXRDBAOUKZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H12N2O/c1-10-11-7-8-4-3-5-9(6-8)12-2/h3-7,10H,1-2H3/b11-7+.
What are the key properties of N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine?
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine has a molecular weight of 164.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 110339403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).