4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol

C17H19NO — CID 43742864

IUPAC4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
SMILESCc1ccc(C2CC(Nc3ccc(O)cc3)C2)cc1
InChIInChI=1S/C17H19NO/c1-12-2-4-13(5-3-12)14-10-16(11-14)18-15-6-8-17(19)9-7-15/h2-9,14,16,18-19H,10-11H2,1H3
InChIKeyPHARIDSPBJEVKP-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.06
Rot. Bonds3

About 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol

4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol (PubChem CID 43742864) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
PubChem CID43742864
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol
SMILESCc1ccc(C2CC(Nc3ccc(O)cc3)C2)cc1
InChIInChI=1S/C17H19NO/c1-12-2-4-13(5-3-12)14-10-16(11-14)18-15-6-8-17(19)9-7-15/h2-9,14,16,18-19H,10-11H2,1H3
InChIKeyPHARIDSPBJEVKP-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
The IUPAC name of 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol (CID 43742864) is 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol.
What is the SMILES notation for 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
The canonical SMILES for 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol is Cc1ccc(C2CC(Nc3ccc(O)cc3)C2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
The InChIKey is PHARIDSPBJEVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-2-4-13(5-3-12)14-10-16(11-14)18-15-6-8-17(19)9-7-15/h2-9,14,16,18-19H,10-11H2,1H3.
What are the key properties of 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol?
4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol has a molecular weight of 253.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)cyclobutyl]amino]phenol is sourced from PubChem (CID 43742864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).