2-methoxy-5-(3-propylphenyl)aniline

C16H19NO — CID 116545191

IUPAC2-methoxy-5-(3-propylphenyl)aniline
SMILESCCCc1cccc(-c2ccc(OC)c(N)c2)c1
InChIInChI=1S/C16H19NO/c1-3-5-12-6-4-7-13(10-12)14-8-9-16(18-2)15(17)11-14/h4,6-11H,3,5,17H2,1-2H3
InChIKeyTUIRORFQABMCHI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.90
Rot. Bonds4

About 2-methoxy-5-(3-propylphenyl)aniline

2-methoxy-5-(3-propylphenyl)aniline (PubChem CID 116545191) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methoxy-5-(3-propylphenyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(3-propylphenyl)aniline
PubChem CID116545191
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methoxy-5-(3-propylphenyl)aniline
SMILESCCCc1cccc(-c2ccc(OC)c(N)c2)c1
InChIInChI=1S/C16H19NO/c1-3-5-12-6-4-7-13(10-12)14-8-9-16(18-2)15(17)11-14/h4,6-11H,3,5,17H2,1-2H3
InChIKeyTUIRORFQABMCHI-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-propylphenyl)aniline?
The IUPAC name of 2-methoxy-5-(3-propylphenyl)aniline (CID 116545191) is 2-methoxy-5-(3-propylphenyl)aniline.
What is the SMILES notation for 2-methoxy-5-(3-propylphenyl)aniline?
The canonical SMILES for 2-methoxy-5-(3-propylphenyl)aniline is CCCc1cccc(-c2ccc(OC)c(N)c2)c1.
What is the InChIKey of 2-methoxy-5-(3-propylphenyl)aniline?
The InChIKey is TUIRORFQABMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-5-12-6-4-7-13(10-12)14-8-9-16(18-2)15(17)11-14/h4,6-11H,3,5,17H2,1-2H3.
What are the key properties of 2-methoxy-5-(3-propylphenyl)aniline?
2-methoxy-5-(3-propylphenyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-propylphenyl)aniline is sourced from PubChem (CID 116545191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).