N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline

C15H17N3O — CID 169383589

IUPACN-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)cc1CN
InChIInChI=1S/C15H17N3O/c1-19-15-8-7-12(9-13(15)10-16)11-17-18-14-5-3-2-4-6-14/h2-9,11,18H,10,16H2,1H3
InChIKeyUVVIBAZZZMVACP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.60
Rot. Bonds5

About N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline

N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline (PubChem CID 169383589) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
PubChem CID169383589
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(C=NNc2ccccc2)cc1CN
InChIInChI=1S/C15H17N3O/c1-19-15-8-7-12(9-13(15)10-16)11-17-18-14-5-3-2-4-6-14/h2-9,11,18H,10,16H2,1H3
InChIKeyUVVIBAZZZMVACP-UHFFFAOYSA-N
XLogP2.60
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
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'}

Analyze N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline 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-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 5348595
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 169382404
N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
CID 169382362
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
CID 169381664
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 169382646

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline (CID 169383589) is N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline is COc1ccc(C=NNc2ccccc2)cc1CN.
What is the InChIKey of N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline?
The InChIKey is UVVIBAZZZMVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-15-8-7-12(9-13(15)10-16)11-17-18-14-5-3-2-4-6-14/h2-9,11,18H,10,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline?
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline has a molecular weight of 255.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 169383589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).