N-benzyl-4,5-dimethoxy-2-methylaniline

C16H19NO2 — CID 43230212

IUPACN-benzyl-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO2/c1-12-9-15(18-2)16(19-3)10-14(12)17-11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyQEMYCOKDOKPXFN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-4,5-dimethoxy-2-methylaniline

N-benzyl-4,5-dimethoxy-2-methylaniline (PubChem CID 43230212) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-benzyl-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-benzyl-4,5-dimethoxy-2-methylaniline
PubChem CID43230212
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-benzyl-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO2/c1-12-9-15(18-2)16(19-3)10-14(12)17-11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyQEMYCOKDOKPXFN-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230231
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60789912
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
N-benzyl-2,6-dimethoxy-4-methylaniline
CID 140970852
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60780447
[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
CID 64580358

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-benzyl-4,5-dimethoxy-2-methylaniline (CID 43230212) is N-benzyl-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-benzyl-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-benzyl-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-4,5-dimethoxy-2-methylaniline?
The InChIKey is QEMYCOKDOKPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-9-15(18-2)16(19-3)10-14(12)17-11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3.
What are the key properties of N-benzyl-4,5-dimethoxy-2-methylaniline?
N-benzyl-4,5-dimethoxy-2-methylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 43230212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).