3-[1-(2-propylanilino)ethyl]phenol

C17H21NO — CID 43687423

IUPAC3-[1-(2-propylanilino)ethyl]phenol
SMILESCCCc1ccccc1NC(C)c1cccc(O)c1
InChIInChI=1S/C17H21NO/c1-3-7-14-8-4-5-11-17(14)18-13(2)15-9-6-10-16(19)12-15/h4-6,8-13,18-19H,3,7H2,1-2H3
InChIKeyQSEVXAZASNSJEL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.52
Rot. Bonds5

About 3-[1-(2-propylanilino)ethyl]phenol

3-[1-(2-propylanilino)ethyl]phenol (PubChem CID 43687423) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[1-(2-propylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2-propylanilino)ethyl]phenol
PubChem CID43687423
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[1-(2-propylanilino)ethyl]phenol
SMILESCCCc1ccccc1NC(C)c1cccc(O)c1
InChIInChI=1S/C17H21NO/c1-3-7-14-8-4-5-11-17(14)18-13(2)15-9-6-10-16(19)12-15/h4-6,8-13,18-19H,3,7H2,1-2H3
InChIKeyQSEVXAZASNSJEL-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-propylanilino)ethyl]phenol?
The IUPAC name of 3-[1-(2-propylanilino)ethyl]phenol (CID 43687423) is 3-[1-(2-propylanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2-propylanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(2-propylanilino)ethyl]phenol is CCCc1ccccc1NC(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-propylanilino)ethyl]phenol?
The InChIKey is QSEVXAZASNSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-7-14-8-4-5-11-17(14)18-13(2)15-9-6-10-16(19)12-15/h4-6,8-13,18-19H,3,7H2,1-2H3.
What are the key properties of 3-[1-(2-propylanilino)ethyl]phenol?
3-[1-(2-propylanilino)ethyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-propylanilino)ethyl]phenol is sourced from PubChem (CID 43687423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).