2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine

C18H24N2 — CID 115126395

IUPAC2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)Cc2ccc(C)c(C)c2C)c1
InChIInChI=1S/C18H24N2/c1-12-6-9-17(19)18(10-12)20(5)11-16-8-7-13(2)14(3)15(16)4/h6-10H,11,19H2,1-5H3
InChIKeyPQIUUXPLBJMTMU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.14
Rot. Bonds3

About 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine

2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine (PubChem CID 115126395) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
PubChem CID115126395
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(N)c(N(C)Cc2ccc(C)c(C)c2C)c1
InChIInChI=1S/C18H24N2/c1-12-6-9-17(19)18(10-12)20(5)11-16-8-7-13(2)14(3)15(16)4/h6-10H,11,19H2,1-5H3
InChIKeyPQIUUXPLBJMTMU-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.14
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

N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
CID 62001809
2-[amino(methyl)amino]-4-methylaniline
CID 130196475
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434
1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
CID 115125026
1-N,4-N-dimethyl-4-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,4-diamine
CID 117041457
N-(2-amino-5-methylphenyl)-N-methylethanesulfinamide
CID 170287818
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124611
1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117041145
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
N-benzyl-N,2,5-trimethylaniline
CID 15439716
2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 62307943
5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
CID 117038622

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine (CID 115126395) is 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine is Cc1ccc(N)c(N(C)Cc2ccc(C)c(C)c2C)c1.
What is the InChIKey of 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is PQIUUXPLBJMTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-6-9-17(19)18(10-12)20(5)11-16-8-7-13(2)14(3)15(16)4/h6-10H,11,19H2,1-5H3.
What are the key properties of 2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine?
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.14, 3 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-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115126395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).