1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol

C16H24FNO — CID 61446052

IUPAC1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(N(C)CC2CCCCC2)c(F)c1
InChIInChI=1S/C16H24FNO/c1-12(19)14-8-9-16(15(17)10-14)18(2)11-13-6-4-3-5-7-13/h8-10,12-13,19H,3-7,11H2,1-2H3
InChIKeyDQJRBUOGAYGQKU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol

1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol (PubChem CID 61446052) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
PubChem CID61446052
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
SMILESCC(O)c1ccc(N(C)CC2CCCCC2)c(F)c1
InChIInChI=1S/C16H24FNO/c1-12(19)14-8-9-16(15(17)10-14)18(2)11-13-6-4-3-5-7-13/h8-10,12-13,19H,3-7,11H2,1-2H3
InChIKeyDQJRBUOGAYGQKU-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
1-[3-bromo-4-[cyclobutylmethyl(methyl)amino]phenyl]ethanol
CID 62912014
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288
4-(1-aminoethyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 55227392
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
4-[cyclohexylmethyl(methyl)amino]-3-fluorobenzenecarbothioamide
CID 61447014

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol (CID 61446052) is 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol is CC(O)c1ccc(N(C)CC2CCCCC2)c(F)c1.
What is the InChIKey of 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is DQJRBUOGAYGQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(19)14-8-9-16(15(17)10-14)18(2)11-13-6-4-3-5-7-13/h8-10,12-13,19H,3-7,11H2,1-2H3.
What are the key properties of 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 265.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 61446052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).