4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine

C17H22N2 — CID 43676922

IUPAC4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1CNc1ccc(N(C)C)cc1C
InChIInChI=1S/C17H22N2/c1-13-7-5-6-8-15(13)12-18-17-10-9-16(19(3)4)11-14(17)2/h5-11,18H,12H2,1-4H3
InChIKeyRFDDGSZIJSMKEA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.98
Rot. Bonds4

About 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 43676922) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID43676922
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1ccccc1CNc1ccc(N(C)C)cc1C
InChIInChI=1S/C17H22N2/c1-13-7-5-6-8-15(13)12-18-17-10-9-16(19(3)4)11-14(17)2/h5-11,18H,12H2,1-4H3
InChIKeyRFDDGSZIJSMKEA-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987
4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
CID 55060168
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine
CID 66400206
4-N,4-N,2-trimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
CID 62759246
1-N-[(5-chlorothiophen-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676884
4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81311267
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
1-N-[(3-bromofuran-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103817730

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (CID 43676922) is 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is Cc1ccccc1CNc1ccc(N(C)C)cc1C.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is RFDDGSZIJSMKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-5-6-8-15(13)12-18-17-10-9-16(19(3)4)11-14(17)2/h5-11,18H,12H2,1-4H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 43676922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).