(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol

C14H22FNO — CID 63370901

IUPAC(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
SMILESCCC(CC)N(C)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C14H22FNO/c1-5-12(6-2)16(4)14-8-7-11(10(3)17)9-13(14)15/h7-10,12,17H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyOKHZCRXGVZFLCE-SNVBAGLBSA-N
MW239.33 g/mol
LogP3.50
Rot. Bonds5

About (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol

(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol (PubChem CID 63370901) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
PubChem CID63370901
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
SMILESCCC(CC)N(C)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C14H22FNO/c1-5-12(6-2)16(4)14-8-7-11(10(3)17)9-13(14)15/h7-10,12,17H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyOKHZCRXGVZFLCE-SNVBAGLBSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.50
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

(1S)-1-[3-fluoro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 78939739
1-[3-fluoro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 54994585
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
1-[4-[butan-2-yl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43506190
(1S)-1-[3-fluoro-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 78940650
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol (CID 63370901) is (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol is CCC(CC)N(C)c1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol?
The InChIKey is OKHZCRXGVZFLCE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-12(6-2)16(4)14-8-7-11(10(3)17)9-13(14)15/h7-10,12,17H,5-6H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol?
(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol has a molecular weight of 239.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 63370901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).