4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline

C15H19N — CID 167255843

IUPAC4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline
SMILESCC1=CCC(C)(c2ccc(N)cc2)C(C)=C1
InChIInChI=1S/C15H19N/c1-11-8-9-15(3,12(2)10-11)13-4-6-14(16)7-5-13/h4-8,10H,9,16H2,1-3H3
InChIKeyCFXUVMULSOYGML-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.82
Rot. Bonds1

About 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline

4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 167255843) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID167255843
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline
SMILESCC1=CCC(C)(c2ccc(N)cc2)C(C)=C1
InChIInChI=1S/C15H19N/c1-11-8-9-15(3,12(2)10-11)13-4-6-14(16)7-5-13/h4-8,10H,9,16H2,1-3H3
InChIKeyCFXUVMULSOYGML-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline (CID 167255843) is 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline is CC1=CCC(C)(c2ccc(N)cc2)C(C)=C1.
What is the InChIKey of 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is CFXUVMULSOYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11-8-9-15(3,12(2)10-11)13-4-6-14(16)7-5-13/h4-8,10H,9,16H2,1-3H3.
What are the key properties of 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline?
4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 213.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-trimethylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 167255843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).