4-(2-phenylethoxy)aniline

C14H15NO — CID 3026856

IUPAC4-(2-phenylethoxy)aniline
SMILESNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C14H15NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKeyMMYXLHQQIXXGRR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.89
Rot. Bonds4

About 4-(2-phenylethoxy)aniline

4-(2-phenylethoxy)aniline (PubChem CID 3026856) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-phenylethoxy)aniline.

Molecular Properties

Compound Name4-(2-phenylethoxy)aniline
PubChem CID3026856
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-(2-phenylethoxy)aniline
SMILESNc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C14H15NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKeyMMYXLHQQIXXGRR-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)aniline?
The IUPAC name of 4-(2-phenylethoxy)aniline (CID 3026856) is 4-(2-phenylethoxy)aniline.
What is the SMILES notation for 4-(2-phenylethoxy)aniline?
The canonical SMILES for 4-(2-phenylethoxy)aniline is Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethoxy)aniline?
The InChIKey is MMYXLHQQIXXGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2.
What are the key properties of 4-(2-phenylethoxy)aniline?
4-(2-phenylethoxy)aniline has a molecular weight of 213.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)aniline is sourced from PubChem (CID 3026856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).