5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol

C17H27NO2 — CID 82986264

IUPAC5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)C2CCC(C)CC2)c(O)c1
InChIInChI=1S/C17H27NO2/c1-12-5-7-14(8-6-12)18(3)13(2)16-10-9-15(20-4)11-17(16)19/h9-14,19H,5-8H2,1-4H3
InChIKeyFFXDVPJHEDIQGX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.97
Rot. Bonds4

About 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol

5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol (PubChem CID 82986264) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
PubChem CID82986264
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
SMILESCOc1ccc(C(C)N(C)C2CCC(C)CC2)c(O)c1
InChIInChI=1S/C17H27NO2/c1-12-5-7-14(8-6-12)18(3)13(2)16-10-9-15(20-4)11-17(16)19/h9-14,19H,5-8H2,1-4H3
InChIKeyFFXDVPJHEDIQGX-UHFFFAOYSA-N
XLogP3.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol
CID 61231044
5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982095
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
CID 103922892
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982580
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol (CID 82986264) is 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol is COc1ccc(C(C)N(C)C2CCC(C)CC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
The InChIKey is FFXDVPJHEDIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-5-7-14(8-6-12)18(3)13(2)16-10-9-15(20-4)11-17(16)19/h9-14,19H,5-8H2,1-4H3.
What are the key properties of 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol?
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 82986264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).