3-(4-propan-2-ylphenyl)aniline

C15H17N — CID 28911760

IUPAC3-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C15H17N/c1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-11H,16H2,1-2H3
InChIKeyYMOODKGQNLVBFB-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.06
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)aniline

3-(4-propan-2-ylphenyl)aniline (PubChem CID 28911760) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)aniline
PubChem CID28911760
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C15H17N/c1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-11H,16H2,1-2H3
InChIKeyYMOODKGQNLVBFB-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 3-(4-propan-2-ylphenyl)aniline (CID 28911760) is 3-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 3-(4-propan-2-ylphenyl)aniline is CC(C)c1ccc(-c2cccc(N)c2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)aniline?
The InChIKey is YMOODKGQNLVBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-11(2)12-6-8-13(9-7-12)14-4-3-5-15(16)10-14/h3-11H,16H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)aniline?
3-(4-propan-2-ylphenyl)aniline has a molecular weight of 211.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 28911760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).