N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine

C13H23N3 — CID 63699905

IUPACN,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
SMILESCNCc1ccccc1N(C)CCN(C)C
InChIInChI=1S/C13H23N3/c1-14-11-12-7-5-6-8-13(12)16(4)10-9-15(2)3/h5-8,14H,9-11H2,1-4H3
InChIKeyYXVCCZUJYUBWOS-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.40
Rot. Bonds6

About N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine (PubChem CID 63699905) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
PubChem CID63699905
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
SMILESCNCc1ccccc1N(C)CCN(C)C
InChIInChI=1S/C13H23N3/c1-14-11-12-7-5-6-8-13(12)16(4)10-9-15(2)3/h5-8,14H,9-11H2,1-4H3
InChIKeyYXVCCZUJYUBWOS-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine 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

N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)aniline
CID 81057315
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 63630728
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
3-[2-(ethylaminomethyl)-N-methylanilino]-N-methylpropanamide
CID 106916760
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline
CID 107870537
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine (CID 63699905) is N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine is CNCc1ccccc1N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine?
The InChIKey is YXVCCZUJYUBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-11-12-7-5-6-8-13(12)16(4)10-9-15(2)3/h5-8,14H,9-11H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 63699905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).