5-phenyl-2-propylaniline

C15H17N — CID 165495824

IUPAC5-phenyl-2-propylaniline
SMILESCCCc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C15H17N/c1-2-6-13-9-10-14(11-15(13)16)12-7-4-3-5-8-12/h3-5,7-11H,2,6,16H2,1H3
InChIKeyGCPZKXCNBKMBCW-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.89
Rot. Bonds3

About 5-phenyl-2-propylaniline

5-phenyl-2-propylaniline (PubChem CID 165495824) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-phenyl-2-propylaniline.

Molecular Properties

Compound Name5-phenyl-2-propylaniline
PubChem CID165495824
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-phenyl-2-propylaniline
SMILESCCCc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C15H17N/c1-2-6-13-9-10-14(11-15(13)16)12-7-4-3-5-8-12/h3-5,7-11H,2,6,16H2,1H3
InChIKeyGCPZKXCNBKMBCW-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.89
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-phenyl-2-propylaniline?
The IUPAC name of 5-phenyl-2-propylaniline (CID 165495824) is 5-phenyl-2-propylaniline.
What is the SMILES notation for 5-phenyl-2-propylaniline?
The canonical SMILES for 5-phenyl-2-propylaniline is CCCc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of 5-phenyl-2-propylaniline?
The InChIKey is GCPZKXCNBKMBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-6-13-9-10-14(11-15(13)16)12-7-4-3-5-8-12/h3-5,7-11H,2,6,16H2,1H3.
What are the key properties of 5-phenyl-2-propylaniline?
5-phenyl-2-propylaniline has a molecular weight of 211.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propylaniline is sourced from PubChem (CID 165495824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).