2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol

C18H20ClNO — CID 61238598

IUPAC2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
SMILESOCCc1ccc(NC2CC(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H20ClNO/c19-18-4-2-1-3-17(18)14-11-16(12-14)20-15-7-5-13(6-8-15)9-10-21/h1-8,14,16,20-21H,9-12H2
InChIKeyQPLHOZRUBSDMNA-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol

2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol (PubChem CID 61238598) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
PubChem CID61238598
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol
SMILESOCCc1ccc(NC2CC(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H20ClNO/c19-18-4-2-1-3-17(18)14-11-16(12-14)20-15-7-5-13(6-8-15)9-10-21/h1-8,14,16,20-21H,9-12H2
InChIKeyQPLHOZRUBSDMNA-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol (CID 61238598) is 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol is OCCc1ccc(NC2CC(c3ccccc3Cl)C2)cc1.
What is the InChIKey of 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol?
The InChIKey is QPLHOZRUBSDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-18-4-2-1-3-17(18)14-11-16(12-14)20-15-7-5-13(6-8-15)9-10-21/h1-8,14,16,20-21H,9-12H2.
What are the key properties of 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol?
2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol has a molecular weight of 301.82 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-chlorophenyl)cyclobutyl]amino]phenyl]ethanol is sourced from PubChem (CID 61238598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).