ethane;4-(4-methylphenyl)aniline

C15H19N — CID 142892908

IUPACethane;4-(4-methylphenyl)aniline
SMILESCC.Cc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C13H13N.C2H6/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-2/h2-9H,14H2,1H3;1-2H3
InChIKeyVGYJXLSRKSMGPQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.27
Rot. Bonds1

About ethane;4-(4-methylphenyl)aniline

ethane;4-(4-methylphenyl)aniline (PubChem CID 142892908) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;4-(4-methylphenyl)aniline.

Molecular Properties

Compound Nameethane;4-(4-methylphenyl)aniline
PubChem CID142892908
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Nameethane;4-(4-methylphenyl)aniline
SMILESCC.Cc1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C13H13N.C2H6/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-2/h2-9H,14H2,1H3;1-2H3
InChIKeyVGYJXLSRKSMGPQ-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.27
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 ethane;4-(4-methylphenyl)aniline?
The IUPAC name of ethane;4-(4-methylphenyl)aniline (CID 142892908) is ethane;4-(4-methylphenyl)aniline.
What is the SMILES notation for ethane;4-(4-methylphenyl)aniline?
The canonical SMILES for ethane;4-(4-methylphenyl)aniline is CC.Cc1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of ethane;4-(4-methylphenyl)aniline?
The InChIKey is VGYJXLSRKSMGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C2H6/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-2/h2-9H,14H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methylphenyl)aniline?
ethane;4-(4-methylphenyl)aniline has a molecular weight of 213.32 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylphenyl)aniline is sourced from PubChem (CID 142892908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).