1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine

C17H22N2 — CID 117041484

IUPAC1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)CCc2cccc(C)c2)cc1
InChIInChI=1S/C17H22N2/c1-14-5-4-6-15(13-14)11-12-19(3)17-9-7-16(18-2)8-10-17/h4-10,13,18H,11-12H2,1-3H3
InChIKeyRJUWQIRPNNLIAR-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.72
Rot. Bonds5

About 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine

1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 117041484) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
PubChem CID117041484
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCNc1ccc(N(C)CCc2cccc(C)c2)cc1
InChIInChI=1S/C17H22N2/c1-14-5-4-6-15(13-14)11-12-19(3)17-9-7-16(18-2)8-10-17/h4-10,13,18H,11-12H2,1-3H3
InChIKeyRJUWQIRPNNLIAR-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.72
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

4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
N,2-dimethyl-2-(methylamino)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 115165838
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219
N,3,5-trimethyl-4-[(3-methylphenyl)methyl]aniline
CID 91007722
3-N-[2-(4-fluorophenyl)ethyl]-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041162
4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)propanamide
CID 60566428

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine (CID 117041484) is 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine is CNc1ccc(N(C)CCc2cccc(C)c2)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is RJUWQIRPNNLIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-5-4-6-15(13-14)11-12-19(3)17-9-7-16(18-2)8-10-17/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 117041484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).