3-methyl-N-phenyl-4-propylaniline

C16H19N — CID 24977147

IUPAC3-methyl-N-phenyl-4-propylaniline
SMILESCCCc1ccc(Nc2ccccc2)cc1C
InChIInChI=1S/C16H19N/c1-3-7-14-10-11-16(12-13(14)2)17-15-8-5-4-6-9-15/h4-6,8-12,17H,3,7H2,1-2H3
InChIKeyFJUZMJFDMAZNKR-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.69
Rot. Bonds4

About 3-methyl-N-phenyl-4-propylaniline

3-methyl-N-phenyl-4-propylaniline (PubChem CID 24977147) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-methyl-N-phenyl-4-propylaniline.

Molecular Properties

Compound Name3-methyl-N-phenyl-4-propylaniline
PubChem CID24977147
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-methyl-N-phenyl-4-propylaniline
SMILESCCCc1ccc(Nc2ccccc2)cc1C
InChIInChI=1S/C16H19N/c1-3-7-14-10-11-16(12-13(14)2)17-15-8-5-4-6-9-15/h4-6,8-12,17H,3,7H2,1-2H3
InChIKeyFJUZMJFDMAZNKR-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenyl-4-propylaniline?
The IUPAC name of 3-methyl-N-phenyl-4-propylaniline (CID 24977147) is 3-methyl-N-phenyl-4-propylaniline.
What is the SMILES notation for 3-methyl-N-phenyl-4-propylaniline?
The canonical SMILES for 3-methyl-N-phenyl-4-propylaniline is CCCc1ccc(Nc2ccccc2)cc1C.
What is the InChIKey of 3-methyl-N-phenyl-4-propylaniline?
The InChIKey is FJUZMJFDMAZNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-7-14-10-11-16(12-13(14)2)17-15-8-5-4-6-9-15/h4-6,8-12,17H,3,7H2,1-2H3.
What are the key properties of 3-methyl-N-phenyl-4-propylaniline?
3-methyl-N-phenyl-4-propylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-4-propylaniline is sourced from PubChem (CID 24977147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).