N,N,3-trimethyl-4-(methylaminomethyl)aniline

C11H18N2 — CID 62135688

IUPACN,N,3-trimethyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)C)cc1C
InChIInChI=1S/C11H18N2/c1-9-7-11(13(3)4)6-5-10(9)8-12-2/h5-7,12H,8H2,1-4H3
InChIKeyVHZUALAYPGLIBE-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.78
Rot. Bonds3

About N,N,3-trimethyl-4-(methylaminomethyl)aniline

N,N,3-trimethyl-4-(methylaminomethyl)aniline (PubChem CID 62135688) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,N,3-trimethyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN,N,3-trimethyl-4-(methylaminomethyl)aniline
PubChem CID62135688
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,N,3-trimethyl-4-(methylaminomethyl)aniline
SMILESCNCc1ccc(N(C)C)cc1C
InChIInChI=1S/C11H18N2/c1-9-7-11(13(3)4)6-5-10(9)8-12-2/h5-7,12H,8H2,1-4H3
InChIKeyVHZUALAYPGLIBE-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline
CID 58536659
N,N-dimethyl-3-[3-methyl-4-(methylaminomethyl)phenoxy]aniline
CID 62128804
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
4-(chloromethyl)-N,N,3-trimethylaniline
CID 62130656
4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
CID 84750842
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-(methylaminomethyl)aniline?
The IUPAC name of N,N,3-trimethyl-4-(methylaminomethyl)aniline (CID 62135688) is N,N,3-trimethyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N,N,3-trimethyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N,N,3-trimethyl-4-(methylaminomethyl)aniline is CNCc1ccc(N(C)C)cc1C.
What is the InChIKey of N,N,3-trimethyl-4-(methylaminomethyl)aniline?
The InChIKey is VHZUALAYPGLIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-7-11(13(3)4)6-5-10(9)8-12-2/h5-7,12H,8H2,1-4H3.
What are the key properties of N,N,3-trimethyl-4-(methylaminomethyl)aniline?
N,N,3-trimethyl-4-(methylaminomethyl)aniline has a molecular weight of 178.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 62135688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).