(2,4,5-trimethylphenyl)methanediamine

C10H16N2 — CID 66789754

IUPAC(2,4,5-trimethylphenyl)methanediamine
SMILESCc1cc(C)c(C(N)N)cc1C
InChIInChI=1S/C10H16N2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5,10H,11-12H2,1-3H3
InChIKeyBFUZAJJPGUEFDE-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.53
Rot. Bonds1

About (2,4,5-trimethylphenyl)methanediamine

(2,4,5-trimethylphenyl)methanediamine (PubChem CID 66789754) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2,4,5-trimethylphenyl)methanediamine.

Molecular Properties

Compound Name(2,4,5-trimethylphenyl)methanediamine
PubChem CID66789754
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2,4,5-trimethylphenyl)methanediamine
SMILESCc1cc(C)c(C(N)N)cc1C
InChIInChI=1S/C10H16N2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5,10H,11-12H2,1-3H3
InChIKeyBFUZAJJPGUEFDE-UHFFFAOYSA-N
XLogP1.53
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,4,5-trimethylphenyl)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

2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
CID 116937565
2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
CID 77128155
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
1-(1-iodoethyl)-2,4,5-trimethylbenzene
CID 142348913
(2,4,5-trimethylphenyl)methanedithiol
CID 22750463
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
CID 65422351
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trimethylphenyl)methanediamine?
The IUPAC name of (2,4,5-trimethylphenyl)methanediamine (CID 66789754) is (2,4,5-trimethylphenyl)methanediamine.
What is the SMILES notation for (2,4,5-trimethylphenyl)methanediamine?
The canonical SMILES for (2,4,5-trimethylphenyl)methanediamine is Cc1cc(C)c(C(N)N)cc1C.
What is the InChIKey of (2,4,5-trimethylphenyl)methanediamine?
The InChIKey is BFUZAJJPGUEFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5,10H,11-12H2,1-3H3.
What are the key properties of (2,4,5-trimethylphenyl)methanediamine?
(2,4,5-trimethylphenyl)methanediamine has a molecular weight of 164.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trimethylphenyl)methanediamine is sourced from PubChem (CID 66789754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).