(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride

C12H18ClNO2 — CID 175741673

IUPAC(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(OC2CCOC2)cc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12;/h2-5,9,12H,6-8,13H2,1H3;1H/t9-,12?;/m0./s1
InChIKeyWHNDJVBMMQVKHM-JDDMYJKFSA-N
MW243.73 g/mol
LogP2.30
Rot. Bonds3

About (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride

(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride (PubChem CID 175741673) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
PubChem CID175741673
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(OC2CCOC2)cc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12;/h2-5,9,12H,6-8,13H2,1H3;1H/t9-,12?;/m0./s1
InChIKeyWHNDJVBMMQVKHM-JDDMYJKFSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
CID 113369198
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride (CID 175741673) is (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride is C[C@H](N)c1ccc(OC2CCOC2)cc1.Cl.
What is the InChIKey of (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride?
The InChIKey is WHNDJVBMMQVKHM-JDDMYJKFSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-9(13)10-2-4-11(5-3-10)15-12-6-7-14-8-12;/h2-5,9,12H,6-8,13H2,1H3;1H/t9-,12?;/m0./s1.
What are the key properties of (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride?
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 175741673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).