N-(benzylamino)-N-(4-methoxyanilino)aniline

C20H21N3O — CID 91397935

IUPACN-(benzylamino)-N-(4-methoxyanilino)aniline
SMILESCOc1ccc(NN(NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O/c1-24-20-14-12-18(13-15-20)22-23(19-10-6-3-7-11-19)21-16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3
InChIKeyZEJOKOQCVDTVKZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.23
Rot. Bonds7

About N-(benzylamino)-N-(4-methoxyanilino)aniline

N-(benzylamino)-N-(4-methoxyanilino)aniline (PubChem CID 91397935) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(benzylamino)-N-(4-methoxyanilino)aniline.

Molecular Properties

Compound NameN-(benzylamino)-N-(4-methoxyanilino)aniline
PubChem CID91397935
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(benzylamino)-N-(4-methoxyanilino)aniline
SMILESCOc1ccc(NN(NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O/c1-24-20-14-12-18(13-15-20)22-23(19-10-6-3-7-11-19)21-16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3
InChIKeyZEJOKOQCVDTVKZ-UHFFFAOYSA-N
XLogP4.23
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(4-methoxyphenyl)-1-phenylhydrazine
CID 88720919
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N,N-bis(ethylamino)-4-methoxyaniline
CID 67588324
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N-benzyl-1,1-bis(4-methoxyphenyl)-1-phenylmethan(15N)amine
CID 11795851
N-[(1-benzylpyrrol-2-yl)methyl]-4-methoxyaniline
CID 171341581
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545

Frequently Asked Questions

What is the IUPAC name of N-(benzylamino)-N-(4-methoxyanilino)aniline?
The IUPAC name of N-(benzylamino)-N-(4-methoxyanilino)aniline (CID 91397935) is N-(benzylamino)-N-(4-methoxyanilino)aniline.
What is the SMILES notation for N-(benzylamino)-N-(4-methoxyanilino)aniline?
The canonical SMILES for N-(benzylamino)-N-(4-methoxyanilino)aniline is COc1ccc(NN(NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(benzylamino)-N-(4-methoxyanilino)aniline?
The InChIKey is ZEJOKOQCVDTVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-20-14-12-18(13-15-20)22-23(19-10-6-3-7-11-19)21-16-17-8-4-2-5-9-17/h2-15,21-22H,16H2,1H3.
What are the key properties of N-(benzylamino)-N-(4-methoxyanilino)aniline?
N-(benzylamino)-N-(4-methoxyanilino)aniline has a molecular weight of 319.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylamino)-N-(4-methoxyanilino)aniline is sourced from PubChem (CID 91397935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).