2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride

C10H15ClFNO2 — CID 171235629

IUPAC2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
SMILESCCOc1cccc([C@@H](N)CF)c1O.Cl
InChIInChI=1S/C10H14FNO2.ClH/c1-2-14-9-5-3-4-7(10(9)13)8(12)6-11;/h3-5,8,13H,2,6,12H2,1H3;1H/t8-;/m0./s1
InChIKeyGEDSMPIFUAOHMH-QRPNPIFTSA-N
MW235.69 g/mol
LogP2.18
Rot. Bonds4

About 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride

2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride (PubChem CID 171235629) has the molecular formula C10H15ClFNO2 and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
PubChem CID171235629
Molecular FormulaC10H15ClFNO2
Molecular Weight235.69 g/mol
Exact Mass235.08
IUPAC Name2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
SMILESCCOc1cccc([C@@H](N)CF)c1O.Cl
InChIInChI=1S/C10H14FNO2.ClH/c1-2-14-9-5-3-4-7(10(9)13)8(12)6-11;/h3-5,8,13H,2,6,12H2,1H3;1H/t8-;/m0./s1
InChIKeyGEDSMPIFUAOHMH-QRPNPIFTSA-N
XLogP2.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
2-[(1S)-1-amino-2-fluoroethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171258866
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
2-[(S)-amino(thiophen-2-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216033
2-[(S)-amino(thiophen-3-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216035
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride (CID 171235629) is 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride is CCOc1cccc([C@@H](N)CF)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride?
The InChIKey is GEDSMPIFUAOHMH-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H14FNO2.ClH/c1-2-14-9-5-3-4-7(10(9)13)8(12)6-11;/h3-5,8,13H,2,6,12H2,1H3;1H/t8-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride?
2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride has a molecular weight of 235.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171235629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).