4-phenyl-2-propan-2-ylbenzene-1,3-diamine

C15H18N2 — CID 141068208

IUPAC4-phenyl-2-propan-2-ylbenzene-1,3-diamine
SMILESCC(C)c1c(N)ccc(-c2ccccc2)c1N
InChIInChI=1S/C15H18N2/c1-10(2)14-13(16)9-8-12(15(14)17)11-6-4-3-5-7-11/h3-10H,16-17H2,1-2H3
InChIKeyKTKVKZLSEYNSPS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.64
Rot. Bonds2

About 4-phenyl-2-propan-2-ylbenzene-1,3-diamine

4-phenyl-2-propan-2-ylbenzene-1,3-diamine (PubChem CID 141068208) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylbenzene-1,3-diamine
PubChem CID141068208
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-phenyl-2-propan-2-ylbenzene-1,3-diamine
SMILESCC(C)c1c(N)ccc(-c2ccccc2)c1N
InChIInChI=1S/C15H18N2/c1-10(2)14-13(16)9-8-12(15(14)17)11-6-4-3-5-7-11/h3-10H,16-17H2,1-2H3
InChIKeyKTKVKZLSEYNSPS-UHFFFAOYSA-N
XLogP3.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-phenyl-2-propan-2-ylbenzene-1,3-diamine (CID 141068208) is 4-phenyl-2-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-phenyl-2-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-phenyl-2-propan-2-ylbenzene-1,3-diamine is CC(C)c1c(N)ccc(-c2ccccc2)c1N.
What is the InChIKey of 4-phenyl-2-propan-2-ylbenzene-1,3-diamine?
The InChIKey is KTKVKZLSEYNSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10(2)14-13(16)9-8-12(15(14)17)11-6-4-3-5-7-11/h3-10H,16-17H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-ylbenzene-1,3-diamine?
4-phenyl-2-propan-2-ylbenzene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 141068208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).