2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine

C18H24N2 — CID 115124630

IUPAC2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1cc(C)c(CCN(C)c2ccccc2N)cc1C
InChIInChI=1S/C18H24N2/c1-13-11-15(3)16(12-14(13)2)9-10-20(4)18-8-6-5-7-17(18)19/h5-8,11-12H,9-10,19H2,1-4H3
InChIKeyYFWCULPZRYITDJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.87
Rot. Bonds4

About 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine

2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115124630) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115124630
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1cc(C)c(CCN(C)c2ccccc2N)cc1C
InChIInChI=1S/C18H24N2/c1-13-11-15(3)16(12-14(13)2)9-10-20(4)18-8-6-5-7-17(18)19/h5-8,11-12H,9-10,19H2,1-4H3
InChIKeyYFWCULPZRYITDJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.87
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

2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124611
4-N-methyl-4-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,4-diamine
CID 117041329
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 62549654
1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125164
1-N-[2-(5-bromo-2-methylphenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125153
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
2-N-methyl-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115514269
[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methanethiol
CID 115228428
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124633
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine (CID 115124630) is 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine is Cc1cc(C)c(CCN(C)c2ccccc2N)cc1C.
What is the InChIKey of 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is YFWCULPZRYITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-11-15(3)16(12-14(13)2)9-10-20(4)18-8-6-5-7-17(18)19/h5-8,11-12H,9-10,19H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine?
2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115124630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).