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

C16H20N2 — CID 82129969

IUPAC3-[[benzyl(methyl)amino]methyl]-4-methylaniline
SMILESCc1ccc(N)cc1CN(C)Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-13-8-9-16(17)10-15(13)12-18(2)11-14-6-4-3-5-7-14/h3-10H,11-12,17H2,1-2H3
InChIKeyQECJYZALLVUOCX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.21
Rot. Bonds4

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

3-[[benzyl(methyl)amino]methyl]-4-methylaniline (PubChem CID 82129969) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-4-methylaniline.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-4-methylaniline
PubChem CID82129969
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[[benzyl(methyl)amino]methyl]-4-methylaniline
SMILESCc1ccc(N)cc1CN(C)Cc1ccccc1
InChIInChI=1S/C16H20N2/c1-13-8-9-16(17)10-15(13)12-18(2)11-14-6-4-3-5-7-14/h3-10H,11-12,17H2,1-2H3
InChIKeyQECJYZALLVUOCX-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nomifensine
CID 4528
Bis(p-(dimethylamino)phenyl)methane
CID 7567
3,4-Dimethylaniline
CID 7248
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
LY-165163
CID 121930
4,4'-Methylenebis(N-methylaniline)
CID 15735
1-(Naphthalen-2-yl)piperazine
CID 2760172
N-(3-Methylphenyl)benzenemethanamine
CID 222281
(R)-6,6'-Dimethyl-1,1'-biphenyl-2,2'-diyldiamine
CID 882241
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
(S)-Nomifensine
CID 55993

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-4-methylaniline?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-4-methylaniline (CID 82129969) is 3-[[benzyl(methyl)amino]methyl]-4-methylaniline.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-4-methylaniline?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-4-methylaniline is Cc1ccc(N)cc1CN(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-4-methylaniline?
The InChIKey is QECJYZALLVUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-8-9-16(17)10-15(13)12-18(2)11-14-6-4-3-5-7-14/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-4-methylaniline?
3-[[benzyl(methyl)amino]methyl]-4-methylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-4-methylaniline is sourced from PubChem (CID 82129969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).