2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine

C17H22N2 — CID 115126434

IUPAC2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(CCN(C)c2cc(C)ccc2N)cc1
InChIInChI=1S/C17H22N2/c1-13-4-7-15(8-5-13)10-11-19(3)17-12-14(2)6-9-16(17)18/h4-9,12H,10-11,18H2,1-3H3
InChIKeyGJTXEXQBZFQPNY-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.56
Rot. Bonds4

About 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine

2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 115126434) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
PubChem CID115126434
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(CCN(C)c2cc(C)ccc2N)cc1
InChIInChI=1S/C17H22N2/c1-13-4-7-15(8-5-13)10-11-19(3)17-12-14(2)6-9-16(17)18/h4-9,12H,10-11,18H2,1-3H3
InChIKeyGJTXEXQBZFQPNY-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,4-dimethyl-2-N-(2-pyridin-3-ylethyl)benzene-1,2-diamine
CID 115126452
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
2-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N,4-dimethylbenzene-1,2-diamine
CID 115126441
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
2-[amino(methyl)amino]-4-methylaniline
CID 130196475
1-N,4-dimethyl-1-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115125150
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124611
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070455
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115126395
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
5-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 107928594

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine (CID 115126434) is 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine is Cc1ccc(CCN(C)c2cc(C)ccc2N)cc1.
What is the InChIKey of 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is GJTXEXQBZFQPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-4-7-15(8-5-13)10-11-19(3)17-12-14(2)6-9-16(17)18/h4-9,12H,10-11,18H2,1-3H3.
What are the key properties of 2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine?
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-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,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 115126434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).