2-[(4-cyclohexylphenyl)methylamino]phenol

C19H23NO — CID 21321362

IUPAC2-[(4-cyclohexylphenyl)methylamino]phenol
SMILESOc1ccccc1NCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H23NO/c21-19-9-5-4-8-18(19)20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h4-5,8-13,16,20-21H,1-3,6-7,14H2
InChIKeyYJYPJAGYPHPFEL-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.05
Rot. Bonds4

About 2-[(4-cyclohexylphenyl)methylamino]phenol

2-[(4-cyclohexylphenyl)methylamino]phenol (PubChem CID 21321362) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)methylamino]phenol
PubChem CID21321362
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(4-cyclohexylphenyl)methylamino]phenol
SMILESOc1ccccc1NCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H23NO/c21-19-9-5-4-8-18(19)20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h4-5,8-13,16,20-21H,1-3,6-7,14H2
InChIKeyYJYPJAGYPHPFEL-UHFFFAOYSA-N
XLogP5.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)methylamino]phenol?
The IUPAC name of 2-[(4-cyclohexylphenyl)methylamino]phenol (CID 21321362) is 2-[(4-cyclohexylphenyl)methylamino]phenol.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)methylamino]phenol?
The canonical SMILES for 2-[(4-cyclohexylphenyl)methylamino]phenol is Oc1ccccc1NCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylphenyl)methylamino]phenol?
The InChIKey is YJYPJAGYPHPFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-19-9-5-4-8-18(19)20-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h4-5,8-13,16,20-21H,1-3,6-7,14H2.
What are the key properties of 2-[(4-cyclohexylphenyl)methylamino]phenol?
2-[(4-cyclohexylphenyl)methylamino]phenol has a molecular weight of 281.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenyl)methylamino]phenol is sourced from PubChem (CID 21321362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).