4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol

C19H22N2O — CID 163899144

IUPAC4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol
SMILESCCNc1ccccc1C1CCC1=CNc1ccc(O)cc1
InChIInChI=1S/C19H22N2O/c1-2-20-19-6-4-3-5-18(19)17-12-7-14(17)13-21-15-8-10-16(22)11-9-15/h3-6,8-11,13,17,20-22H,2,7,12H2,1H3
InChIKeyQIGJFMPEJQJSOI-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.70
Rot. Bonds5

About 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol

4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol (PubChem CID 163899144) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol.

Molecular Properties

Compound Name4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol
PubChem CID163899144
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol
SMILESCCNc1ccccc1C1CCC1=CNc1ccc(O)cc1
InChIInChI=1S/C19H22N2O/c1-2-20-19-6-4-3-5-18(19)17-12-7-14(17)13-21-15-8-10-16(22)11-9-15/h3-6,8-11,13,17,20-22H,2,7,12H2,1H3
InChIKeyQIGJFMPEJQJSOI-UHFFFAOYSA-N
XLogP4.70
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol?
The IUPAC name of 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol (CID 163899144) is 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol.
What is the SMILES notation for 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol?
The canonical SMILES for 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol is CCNc1ccccc1C1CCC1=CNc1ccc(O)cc1.
What is the InChIKey of 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol?
The InChIKey is QIGJFMPEJQJSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-20-19-6-4-3-5-18(19)17-12-7-14(17)13-21-15-8-10-16(22)11-9-15/h3-6,8-11,13,17,20-22H,2,7,12H2,1H3.
What are the key properties of 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol?
4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol has a molecular weight of 294.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol is sourced from PubChem (CID 163899144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).