N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine

C12H20N2 — CID 115226858

IUPACN-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
SMILESCNCNCc1cc(C)c(C)cc1C
InChIInChI=1S/C12H20N2/c1-9-5-11(3)12(6-10(9)2)7-14-8-13-4/h5-6,13-14H,7-8H2,1-4H3
InChIKeyANMJOPDNMZXBNE-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.88
Rot. Bonds4

About N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine

N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine (PubChem CID 115226858) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine.

Molecular Properties

Compound NameN-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
PubChem CID115226858
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine
SMILESCNCNCc1cc(C)c(C)cc1C
InChIInChI=1S/C12H20N2/c1-9-5-11(3)12(6-10(9)2)7-14-8-13-4/h5-6,13-14H,7-8H2,1-4H3
InChIKeyANMJOPDNMZXBNE-UHFFFAOYSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine 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'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
CID 115255007
1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196543
N-[(2,4,5-trimethylphenyl)methyl]hexan-1-amine
CID 43220475
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
CID 103845601
2-methyl-1-[(2,4,5-trimethylphenyl)methylamino]butan-2-ol
CID 63932252
N'-methyl-N'-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62635925
N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 60961813
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine?
The IUPAC name of N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine (CID 115226858) is N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine.
What is the SMILES notation for N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine?
The canonical SMILES for N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine is CNCNCc1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine?
The InChIKey is ANMJOPDNMZXBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-5-11(3)12(6-10(9)2)7-14-8-13-4/h5-6,13-14H,7-8H2,1-4H3.
What are the key properties of N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine?
N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine has a molecular weight of 192.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]methanediamine is sourced from PubChem (CID 115226858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).