2-[(cyclohexylamino)methyl]-6-phenylphenol

C19H23NO — CID 138615262

IUPAC2-[(cyclohexylamino)methyl]-6-phenylphenol
SMILESOc1c(CNC2CCCCC2)cccc1-c1ccccc1
InChIInChI=1S/C19H23NO/c21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15/h1,3-4,7-10,13,17,20-21H,2,5-6,11-12,14H2
InChIKeyUWTKURZJNLUYCN-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.48
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]-6-phenylphenol

2-[(cyclohexylamino)methyl]-6-phenylphenol (PubChem CID 138615262) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-6-phenylphenol
PubChem CID138615262
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(cyclohexylamino)methyl]-6-phenylphenol
SMILESOc1c(CNC2CCCCC2)cccc1-c1ccccc1
InChIInChI=1S/C19H23NO/c21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15/h1,3-4,7-10,13,17,20-21H,2,5-6,11-12,14H2
InChIKeyUWTKURZJNLUYCN-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol
CID 155247152
2-[[[(1R,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol
CID 136715158
[2-[(cyclopentylamino)methyl]phenyl]methanol;hydrochloride
CID 115592493
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]cycloheptanamine
CID 104546893
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-6-phenylphenol?
The IUPAC name of 2-[(cyclohexylamino)methyl]-6-phenylphenol (CID 138615262) is 2-[(cyclohexylamino)methyl]-6-phenylphenol.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-6-phenylphenol?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-6-phenylphenol is Oc1c(CNC2CCCCC2)cccc1-c1ccccc1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-6-phenylphenol?
The InChIKey is UWTKURZJNLUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-19-16(14-20-17-11-5-2-6-12-17)10-7-13-18(19)15-8-3-1-4-9-15/h1,3-4,7-10,13,17,20-21H,2,5-6,11-12,14H2.
What are the key properties of 2-[(cyclohexylamino)methyl]-6-phenylphenol?
2-[(cyclohexylamino)methyl]-6-phenylphenol has a molecular weight of 281.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-6-phenylphenol is sourced from PubChem (CID 138615262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).