4-[2,5-di(propan-2-yl)phenyl]aniline

C18H23N — CID 19358733

IUPAC4-[2,5-di(propan-2-yl)phenyl]aniline
SMILESCC(C)c1ccc(C(C)C)c(-c2ccc(N)cc2)c1
InChIInChI=1S/C18H23N/c1-12(2)15-7-10-17(13(3)4)18(11-15)14-5-8-16(19)9-6-14/h5-13H,19H2,1-4H3
InChIKeyKXEPRLUGFAULQX-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.18
Rot. Bonds3

About 4-[2,5-di(propan-2-yl)phenyl]aniline

4-[2,5-di(propan-2-yl)phenyl]aniline (PubChem CID 19358733) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[2,5-di(propan-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[2,5-di(propan-2-yl)phenyl]aniline
PubChem CID19358733
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-[2,5-di(propan-2-yl)phenyl]aniline
SMILESCC(C)c1ccc(C(C)C)c(-c2ccc(N)cc2)c1
InChIInChI=1S/C18H23N/c1-12(2)15-7-10-17(13(3)4)18(11-15)14-5-8-16(19)9-6-14/h5-13H,19H2,1-4H3
InChIKeyKXEPRLUGFAULQX-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2,5-di(propan-2-yl)phenyl]aniline 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 4-[2,5-di(propan-2-yl)phenyl]aniline?
The IUPAC name of 4-[2,5-di(propan-2-yl)phenyl]aniline (CID 19358733) is 4-[2,5-di(propan-2-yl)phenyl]aniline.
What is the SMILES notation for 4-[2,5-di(propan-2-yl)phenyl]aniline?
The canonical SMILES for 4-[2,5-di(propan-2-yl)phenyl]aniline is CC(C)c1ccc(C(C)C)c(-c2ccc(N)cc2)c1.
What is the InChIKey of 4-[2,5-di(propan-2-yl)phenyl]aniline?
The InChIKey is KXEPRLUGFAULQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12(2)15-7-10-17(13(3)4)18(11-15)14-5-8-16(19)9-6-14/h5-13H,19H2,1-4H3.
What are the key properties of 4-[2,5-di(propan-2-yl)phenyl]aniline?
4-[2,5-di(propan-2-yl)phenyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-di(propan-2-yl)phenyl]aniline is sourced from PubChem (CID 19358733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).