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

C14H20FNO — CID 110887728

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
SMILESC=C(C)CN(CC)CC(O)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-4-16(9-11(2)3)10-14(17)12-7-5-6-8-13(12)15/h5-8,14,17H,2,4,9-10H2,1,3H3
InChIKeyWGNRIRZZOLSBAI-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.76
Rot. Bonds6

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

2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 110887728) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID110887728
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol
SMILESC=C(C)CN(CC)CC(O)c1ccccc1F
InChIInChI=1S/C14H20FNO/c1-4-16(9-11(2)3)10-14(17)12-7-5-6-8-13(12)15/h5-8,14,17H,2,4,9-10H2,1,3H3
InChIKeyWGNRIRZZOLSBAI-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.76
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

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Ephedrine Hydrochloride
CID 65326
Pseudoephedrine Hydrochloride
CID 9581
N-Methylephedrine
CID 4374
DL-Ephedrine
CID 5032
Methylephedrine
CID 64782
N-Methylphenylethanolamine
CID 913
DL-Ephedrine hydrochloride
CID 8648
(-)-Pseudoephedrine
CID 62946
d-Ephedrine
CID 9457
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (R*,S*)-(+-)-
CID 198190

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol (CID 110887728) is 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol is C=C(C)CN(CC)CC(O)c1ccccc1F.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is WGNRIRZZOLSBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16(9-11(2)3)10-14(17)12-7-5-6-8-13(12)15/h5-8,14,17H,2,4,9-10H2,1,3H3.
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol?
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 110887728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).