2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine

C17H22N2 — CID 115124611

IUPAC2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
SMILESCc1ccc(C)c(CCN(C)c2ccccc2N)c1
InChIInChI=1S/C17H22N2/c1-13-8-9-14(2)15(12-13)10-11-19(3)17-7-5-4-6-16(17)18/h4-9,12H,10-11,18H2,1-3H3
InChIKeyJRZHTQHFAIVHDI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.56
Rot. Bonds4

About 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine

2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 115124611) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
PubChem CID115124611
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
SMILESCc1ccc(C)c(CCN(C)c2ccccc2N)c1
InChIInChI=1S/C17H22N2/c1-13-8-9-14(2)15(12-13)10-11-19(3)17-7-5-4-6-16(17)18/h4-9,12H,10-11,18H2,1-3H3
InChIKeyJRZHTQHFAIVHDI-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.56
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-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124630
1-N-[2-(5-bromo-2-methylphenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125153
1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125164
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147764
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]benzene-1,2-diamine
CID 62549654
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine (CID 115124611) is 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine is Cc1ccc(C)c(CCN(C)c2ccccc2N)c1.
What is the InChIKey of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is JRZHTQHFAIVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-8-9-14(2)15(12-13)10-11-19(3)17-7-5-4-6-16(17)18/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine?
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).