4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol

C16H24FNO — CID 82982074

IUPAC4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
SMILESCC1CCCC(N(C)C(C)c2cc(F)ccc2O)C1
InChIInChI=1S/C16H24FNO/c1-11-5-4-6-14(9-11)18(3)12(2)15-10-13(17)7-8-16(15)19/h7-8,10-12,14,19H,4-6,9H2,1-3H3
InChIKeyQBXMYFNBVUJUKY-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.10
Rot. Bonds3

About 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol

4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol (PubChem CID 82982074) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
PubChem CID82982074
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
SMILESCC1CCCC(N(C)C(C)c2cc(F)ccc2O)C1
InChIInChI=1S/C16H24FNO/c1-11-5-4-6-14(9-11)18(3)12(2)15-10-13(17)7-8-16(15)19/h7-8,10-12,14,19H,4-6,9H2,1-3H3
InChIKeyQBXMYFNBVUJUKY-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.10
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

2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982306
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
1-(3,4-difluorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 61446211
5-fluoro-2-[1-[methyl(piperidin-3-yl)amino]ethyl]phenol
CID 63643683
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
4-fluoro-2-[1-[methyl(pentan-2-yl)amino]ethyl]phenol
CID 82977766
2-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-5-fluorophenol
CID 82981552
1-(4-fluorophenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61444270

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol (CID 82982074) is 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol is CC1CCCC(N(C)C(C)c2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
The InChIKey is QBXMYFNBVUJUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-5-4-6-14(9-11)18(3)12(2)15-10-13(17)7-8-16(15)19/h7-8,10-12,14,19H,4-6,9H2,1-3H3.
What are the key properties of 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol has a molecular weight of 265.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 82982074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).