4-(4-cyclopropyloxyphenyl)aniline

C15H15NO — CID 114519885

IUPAC4-(4-cyclopropyloxyphenyl)aniline
SMILESNc1ccc(-c2ccc(OC3CC3)cc2)cc1
InChIInChI=1S/C15H15NO/c16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-15-9-10-15/h1-8,15H,9-10,16H2
InChIKeySGAIMBYANKYPNZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.48
Rot. Bonds3

About 4-(4-cyclopropyloxyphenyl)aniline

4-(4-cyclopropyloxyphenyl)aniline (PubChem CID 114519885) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(4-cyclopropyloxyphenyl)aniline.

Molecular Properties

Compound Name4-(4-cyclopropyloxyphenyl)aniline
PubChem CID114519885
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-(4-cyclopropyloxyphenyl)aniline
SMILESNc1ccc(-c2ccc(OC3CC3)cc2)cc1
InChIInChI=1S/C15H15NO/c16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-15-9-10-15/h1-8,15H,9-10,16H2
InChIKeySGAIMBYANKYPNZ-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.48
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 4-(4-cyclopropyloxyphenyl)aniline?
The IUPAC name of 4-(4-cyclopropyloxyphenyl)aniline (CID 114519885) is 4-(4-cyclopropyloxyphenyl)aniline.
What is the SMILES notation for 4-(4-cyclopropyloxyphenyl)aniline?
The canonical SMILES for 4-(4-cyclopropyloxyphenyl)aniline is Nc1ccc(-c2ccc(OC3CC3)cc2)cc1.
What is the InChIKey of 4-(4-cyclopropyloxyphenyl)aniline?
The InChIKey is SGAIMBYANKYPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-13-5-1-11(2-6-13)12-3-7-14(8-4-12)17-15-9-10-15/h1-8,15H,9-10,16H2.
What are the key properties of 4-(4-cyclopropyloxyphenyl)aniline?
4-(4-cyclopropyloxyphenyl)aniline has a molecular weight of 225.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyloxyphenyl)aniline is sourced from PubChem (CID 114519885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).