(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol

C14H20FNO — CID 104873578

IUPAC(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N(C)C2CCC2)c([C@H](C)O)cc1F
InChIInChI=1S/C14H20FNO/c1-9-7-14(16(3)11-5-4-6-11)12(10(2)17)8-13(9)15/h7-8,10-11,17H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyJCZDLEFAODJGQL-JTQLQIEISA-N
MW237.32 g/mol
LogP3.18
Rot. Bonds3

About (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol

(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol (PubChem CID 104873578) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
PubChem CID104873578
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N(C)C2CCC2)c([C@H](C)O)cc1F
InChIInChI=1S/C14H20FNO/c1-9-7-14(16(3)11-5-4-6-11)12(10(2)17)8-13(9)15/h7-8,10-11,17H,4-6H2,1-3H3/t10-/m0/s1
InChIKeyJCZDLEFAODJGQL-JTQLQIEISA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
(1S)-1-[5-fluoro-4-methyl-2-[methyl(2-methylprop-2-enyl)amino]phenyl]ethanol
CID 113498682
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352
1-[5-fluoro-4-methyl-2-[methyl(2-methylsulfanylethyl)amino]phenyl]ethanol
CID 112661699
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419
4-[[4-fluoro-2-[(1S)-1-hydroxyethyl]-N,5-dimethylanilino]methyl]oxan-4-ol
CID 104985520
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol (CID 104873578) is (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol is Cc1cc(N(C)C2CCC2)c([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is JCZDLEFAODJGQL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-7-14(16(3)11-5-4-6-11)12(10(2)17)8-13(9)15/h7-8,10-11,17H,4-6H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol?
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 104873578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).