(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol

C14H20FNO2 — CID 103339609

IUPAC(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
SMILESC=CCN(CCOC)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-7-16(8-9-18-3)14-6-5-12(11(2)17)10-13(14)15/h4-6,10-11,17H,1,7-9H2,2-3H3/t11-/m1/s1
InChIKeyJEGKXJFEEXGNKI-LLVKDONJSA-N
MW253.32 g/mol
LogP2.52
Rot. Bonds7

About (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol

(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol (PubChem CID 103339609) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
PubChem CID103339609
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
SMILESC=CCN(CCOC)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-7-16(8-9-18-3)14-6-5-12(11(2)17)10-13(14)15/h4-6,10-11,17H,1,7-9H2,2-3H3/t11-/m1/s1
InChIKeyJEGKXJFEEXGNKI-LLVKDONJSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]benzaldehyde
CID 103339505
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339600
(1S)-1-[3-fluoro-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 78940650
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 103339223
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
1-[2-methoxy-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339602
(1R)-1-[4-[bis(prop-2-enyl)amino]-3-bromophenyl]ethanol
CID 55183358
(1S)-1-[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]ethanol
CID 78939072

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol (CID 103339609) is (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol is C=CCN(CCOC)c1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
The InChIKey is JEGKXJFEEXGNKI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-7-16(8-9-18-3)14-6-5-12(11(2)17)10-13(14)15/h4-6,10-11,17H,1,7-9H2,2-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol is sourced from PubChem (CID 103339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).