(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol

C15H22FNO — CID 78939265

IUPAC(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)C1CCCCC1
InChIInChI=1S/C15H22FNO/c1-11(18)15-13(16)9-6-10-14(15)17(2)12-7-4-3-5-8-12/h6,9-12,18H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyYOXBOJRVHQJLSU-NSHDSACASA-N
MW251.34 g/mol
LogP3.65
Rot. Bonds3

About (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol

(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol (PubChem CID 78939265) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
PubChem CID78939265
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N(C)C1CCCCC1
InChIInChI=1S/C15H22FNO/c1-11(18)15-13(16)9-6-10-14(15)17(2)12-7-4-3-5-8-12/h6,9-12,18H,3-5,7-8H2,1-2H3/t11-/m0/s1
InChIKeyYOXBOJRVHQJLSU-NSHDSACASA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
(1S)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742145
(1R)-1-[2-fluoro-6-[methyl(oxolan-3-yl)amino]phenyl]ethanol
CID 82742056
(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol
CID 104873566
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol (CID 78939265) is (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1N(C)C1CCCCC1.
What is the InChIKey of (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol?
The InChIKey is YOXBOJRVHQJLSU-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(18)15-13(16)9-6-10-14(15)17(2)12-7-4-3-5-8-12/h6,9-12,18H,3-5,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol?
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol is sourced from PubChem (CID 78939265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).