1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine

C15H19N3 — CID 43616859

IUPAC1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H19N3/c1-11-10-12(16)4-9-15(11)17-13-5-7-14(8-6-13)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyMXFBHKRUYCTMCD-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.39
Rot. Bonds3

About 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine

1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine (PubChem CID 43616859) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine
PubChem CID43616859
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H19N3/c1-11-10-12(16)4-9-15(11)17-13-5-7-14(8-6-13)18(2)3/h4-10,17H,16H2,1-3H3
InChIKeyMXFBHKRUYCTMCD-UHFFFAOYSA-N
XLogP3.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine (CID 43616859) is 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1Nc1ccc(N(C)C)cc1.
What is the InChIKey of 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine?
The InChIKey is MXFBHKRUYCTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-10-12(16)4-9-15(11)17-13-5-7-14(8-6-13)18(2)3/h4-10,17H,16H2,1-3H3.
What are the key properties of 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine?
1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43616859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).