3-[(2-cyclohexylethylamino)methyl]phenol

C15H23NO — CID 60752412

IUPAC3-[(2-cyclohexylethylamino)methyl]phenol
SMILESOc1cccc(CNCCC2CCCCC2)c1
InChIInChI=1S/C15H23NO/c17-15-8-4-7-14(11-15)12-16-10-9-13-5-2-1-3-6-13/h4,7-8,11,13,16-17H,1-3,5-6,9-10,12H2
InChIKeyFCAYXEVNXTWGSU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.45
Rot. Bonds5

About 3-[(2-cyclohexylethylamino)methyl]phenol

3-[(2-cyclohexylethylamino)methyl]phenol (PubChem CID 60752412) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(2-cyclohexylethylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-cyclohexylethylamino)methyl]phenol
PubChem CID60752412
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(2-cyclohexylethylamino)methyl]phenol
SMILESOc1cccc(CNCCC2CCCCC2)c1
InChIInChI=1S/C15H23NO/c17-15-8-4-7-14(11-15)12-16-10-9-13-5-2-1-3-6-13/h4,7-8,11,13,16-17H,1-3,5-6,9-10,12H2
InChIKeyFCAYXEVNXTWGSU-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
2-cyclopentyl-N-[(3-nitrophenyl)methyl]ethanamine
CID 60732590
2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
CID 107740666
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
3-(propylaminomethyl)phenol
CID 10725714
2-cyclobutyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 103707492
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylethylamino)methyl]phenol?
The IUPAC name of 3-[(2-cyclohexylethylamino)methyl]phenol (CID 60752412) is 3-[(2-cyclohexylethylamino)methyl]phenol.
What is the SMILES notation for 3-[(2-cyclohexylethylamino)methyl]phenol?
The canonical SMILES for 3-[(2-cyclohexylethylamino)methyl]phenol is Oc1cccc(CNCCC2CCCCC2)c1.
What is the InChIKey of 3-[(2-cyclohexylethylamino)methyl]phenol?
The InChIKey is FCAYXEVNXTWGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15-8-4-7-14(11-15)12-16-10-9-13-5-2-1-3-6-13/h4,7-8,11,13,16-17H,1-3,5-6,9-10,12H2.
What are the key properties of 3-[(2-cyclohexylethylamino)methyl]phenol?
3-[(2-cyclohexylethylamino)methyl]phenol has a molecular weight of 233.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylethylamino)methyl]phenol is sourced from PubChem (CID 60752412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).