(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride

C10H15ClFNO — CID 171225210

IUPAC(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
SMILESCCOc1cccc([C@@H](N)CF)c1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-13-9-5-3-4-8(6-9)10(12)7-11;/h3-6,10H,2,7,12H2,1H3;1H/t10-;/m0./s1
InChIKeySZPVPQVFLNBIAX-PPHPATTJSA-N
MW219.69 g/mol
LogP2.48
Rot. Bonds4

About (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171225210) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171225210
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
SMILESCCOc1cccc([C@@H](N)CF)c1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-2-13-9-5-3-4-8(6-9)10(12)7-11;/h3-6,10H,2,7,12H2,1H3;1H/t10-;/m0./s1
InChIKeySZPVPQVFLNBIAX-PPHPATTJSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
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(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
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(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
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(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
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1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride (CID 171225210) is (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride is CCOc1cccc([C@@H](N)CF)c1.Cl.
What is the InChIKey of (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is SZPVPQVFLNBIAX-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-2-13-9-5-3-4-8(6-9)10(12)7-11;/h3-6,10H,2,7,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171225210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).