N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

C18H21N3O — CID 169382646

IUPACN-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESCOc1cc(C=NNc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C18H21N3O/c1-22-18-13-15(9-10-17(18)21-11-5-6-12-21)14-19-20-16-7-3-2-4-8-16/h2-4,7-10,13-14,20H,5-6,11-12H2,1H3
InChIKeyJFTDKSABYBUPFW-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.74
Rot. Bonds5

About N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline

N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (PubChem CID 169382646) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
PubChem CID169382646
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
SMILESCOc1cc(C=NNc2ccccc2)ccc1N1CCCC1
InChIInChI=1S/C18H21N3O/c1-22-18-13-15(9-10-17(18)21-11-5-6-12-21)14-19-20-16-7-3-2-4-8-16/h2-4,7-10,13-14,20H,5-6,11-12H2,1H3
InChIKeyJFTDKSABYBUPFW-UHFFFAOYSA-N
XLogP3.74
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.74
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-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
N-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169382491
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
2-methoxy-5-[(phenylhydrazinylidene)methyl]benzenesulfonic acid
CID 169381664
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 50870632
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline (CID 169382646) is N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is COc1cc(C=NNc2ccccc2)ccc1N1CCCC1.
What is the InChIKey of N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
The InChIKey is JFTDKSABYBUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-22-18-13-15(9-10-17(18)21-11-5-6-12-21)14-19-20-16-7-3-2-4-8-16/h2-4,7-10,13-14,20H,5-6,11-12H2,1H3.
What are the key properties of N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline?
N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline has a molecular weight of 295.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline is sourced from PubChem (CID 169382646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).