(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol

C14H20FNO — CID 78939401

IUPAC(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
SMILESC=C(C)CN(CC)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C14H20FNO/c1-5-16(9-10(2)3)14-7-6-12(15)8-13(14)11(4)17/h6-8,11,17H,2,5,9H2,1,3-4H3/t11-/m0/s1
InChIKeyGGLQVRAAHHAQKL-NSHDSACASA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds5

About (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol

(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol (PubChem CID 78939401) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
PubChem CID78939401
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol
SMILESC=C(C)CN(CC)c1ccc(F)cc1[C@H](C)O
InChIInChI=1S/C14H20FNO/c1-5-16(9-10(2)3)14-7-6-12(15)8-13(14)11(4)17/h6-8,11,17H,2,5,9H2,1,3-4H3/t11-/m0/s1
InChIKeyGGLQVRAAHHAQKL-NSHDSACASA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorobenzaldehyde
CID 43312933
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
N,N-diethyl-2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]acetamide
CID 63371189
2-[N-(cyanomethyl)-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]acetonitrile
CID 78939218
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
CID 55010825
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
1-[4-[ethyl(2-methylprop-2-enyl)amino]-3-nitrophenyl]ethanol
CID 43506071

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol (CID 78939401) is (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol is C=C(C)CN(CC)c1ccc(F)cc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is GGLQVRAAHHAQKL-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-16(9-10(2)3)14-7-6-12(15)8-13(14)11(4)17/h6-8,11,17H,2,5,9H2,1,3-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol?
(1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 78939401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).