5-methyl-2-(4-propylphenyl)aniline

C16H19N — CID 82766529

IUPAC5-methyl-2-(4-propylphenyl)aniline
SMILESCCCc1ccc(-c2ccc(C)cc2N)cc1
InChIInChI=1S/C16H19N/c1-3-4-13-6-8-14(9-7-13)15-10-5-12(2)11-16(15)17/h5-11H,3-4,17H2,1-2H3
InChIKeyHHDCNNRLCBXRDB-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.20
Rot. Bonds3

About 5-methyl-2-(4-propylphenyl)aniline

5-methyl-2-(4-propylphenyl)aniline (PubChem CID 82766529) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-methyl-2-(4-propylphenyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(4-propylphenyl)aniline
PubChem CID82766529
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name5-methyl-2-(4-propylphenyl)aniline
SMILESCCCc1ccc(-c2ccc(C)cc2N)cc1
InChIInChI=1S/C16H19N/c1-3-4-13-6-8-14(9-7-13)15-10-5-12(2)11-16(15)17/h5-11H,3-4,17H2,1-2H3
InChIKeyHHDCNNRLCBXRDB-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.20
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 5-methyl-2-(4-propylphenyl)aniline?
The IUPAC name of 5-methyl-2-(4-propylphenyl)aniline (CID 82766529) is 5-methyl-2-(4-propylphenyl)aniline.
What is the SMILES notation for 5-methyl-2-(4-propylphenyl)aniline?
The canonical SMILES for 5-methyl-2-(4-propylphenyl)aniline is CCCc1ccc(-c2ccc(C)cc2N)cc1.
What is the InChIKey of 5-methyl-2-(4-propylphenyl)aniline?
The InChIKey is HHDCNNRLCBXRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-4-13-6-8-14(9-7-13)15-10-5-12(2)11-16(15)17/h5-11H,3-4,17H2,1-2H3.
What are the key properties of 5-methyl-2-(4-propylphenyl)aniline?
5-methyl-2-(4-propylphenyl)aniline has a molecular weight of 225.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-propylphenyl)aniline is sourced from PubChem (CID 82766529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).