1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

C15H18N2 — CID 7573

IUPAC1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
InChIKeyOUBMGJOQLXMSNT-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.25
Rot. Bonds4

About 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine

1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 7573) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
PubChem CID7573
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
InChIKeyOUBMGJOQLXMSNT-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine (CID 7573) is 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is CC(C)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is OUBMGJOQLXMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3.
What are the key properties of 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine?
1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 7573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).