4-[2-(2-cyclohexyloxyethylamino)propyl]phenol

C17H27NO2 — CID 115494352

IUPAC4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCOC1CCCCC1
InChIInChI=1S/C17H27NO2/c1-14(13-15-7-9-16(19)10-8-15)18-11-12-20-17-5-3-2-4-6-17/h7-10,14,17-19H,2-6,11-13H2,1H3
InChIKeyYTSJYXFIYUJILQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.26
Rot. Bonds7

About 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol

4-[2-(2-cyclohexyloxyethylamino)propyl]phenol (PubChem CID 115494352) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
PubChem CID115494352
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCCOC1CCCCC1
InChIInChI=1S/C17H27NO2/c1-14(13-15-7-9-16(19)10-8-15)18-11-12-20-17-5-3-2-4-6-17/h7-10,14,17-19H,2-6,11-13H2,1H3
InChIKeyYTSJYXFIYUJILQ-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyclopentyloxy-2-methylbutyl)phenol
CID 174631344
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 63828165
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
4-[2-(decylamino)propyl]phenol
CID 115494442
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686
4-[2-[2-(3-methylcyclohexyl)ethylamino]propyl]phenol
CID 115494364
4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098
4-[2-[2-[di(propan-2-yl)amino]ethylamino]propyl]phenol
CID 115493853
4-[2-(3-fluoropropylamino)propyl]phenol
CID 110174731

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol?
The IUPAC name of 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol (CID 115494352) is 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol?
The canonical SMILES for 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol is CC(Cc1ccc(O)cc1)NCCOC1CCCCC1.
What is the InChIKey of 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol?
The InChIKey is YTSJYXFIYUJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(13-15-7-9-16(19)10-8-15)18-11-12-20-17-5-3-2-4-6-17/h7-10,14,17-19H,2-6,11-13H2,1H3.
What are the key properties of 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol?
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclohexyloxyethylamino)propyl]phenol is sourced from PubChem (CID 115494352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).