3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline

C16H20N2O — CID 43247150

IUPAC3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1CN(C)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(11-13-6-4-3-5-7-13)12-14-10-15(17)8-9-16(14)19-2/h3-10H,11-12,17H2,1-2H3
InChIKeyAJBXGEOSGQLNMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.91
Rot. Bonds5

About 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline

3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline (PubChem CID 43247150) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
PubChem CID43247150
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1CN(C)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(11-13-6-4-3-5-7-13)12-14-10-15(17)8-9-16(14)19-2/h3-10H,11-12,17H2,1-2H3
InChIKeyAJBXGEOSGQLNMF-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline 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

3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43527900
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
4-benzyl-3-methoxyaniline
CID 22599955

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline (CID 43247150) is 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline is COc1ccc(N)cc1CN(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline?
The InChIKey is AJBXGEOSGQLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(11-13-6-4-3-5-7-13)12-14-10-15(17)8-9-16(14)19-2/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline?
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline has a molecular weight of 256.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline is sourced from PubChem (CID 43247150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).