2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol

C17H26FNO — CID 82986196

IUPAC2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
SMILESCCC1CCC(N(C)C(C)c2cc(F)ccc2O)CC1
InChIInChI=1S/C17H26FNO/c1-4-13-5-8-15(9-6-13)19(3)12(2)16-11-14(18)7-10-17(16)20/h7,10-13,15,20H,4-6,8-9H2,1-3H3
InChIKeyISTOVFYLBQCQDW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.49
Rot. Bonds4

About 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol

2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol (PubChem CID 82986196) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
PubChem CID82986196
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
SMILESCCC1CCC(N(C)C(C)c2cc(F)ccc2O)CC1
InChIInChI=1S/C17H26FNO/c1-4-13-5-8-15(9-6-13)19(3)12(2)16-11-14(18)7-10-17(16)20/h7,10-13,15,20H,4-6,8-9H2,1-3H3
InChIKeyISTOVFYLBQCQDW-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol
CID 82977766
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
2-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-5-fluorophenol
CID 82981552
2-[(4-ethylcyclohexyl)-methylamino]-5-fluorobenzenecarbothioamide
CID 63673867
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
4-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]aniline
CID 61450845

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol?
The IUPAC name of 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol (CID 82986196) is 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol?
The canonical SMILES for 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol is CCC1CCC(N(C)C(C)c2cc(F)ccc2O)CC1.
What is the InChIKey of 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol?
The InChIKey is ISTOVFYLBQCQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-13-5-8-15(9-6-13)19(3)12(2)16-11-14(18)7-10-17(16)20/h7,10-13,15,20H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol?
2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol has a molecular weight of 279.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol is sourced from PubChem (CID 82986196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).