(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride

C12H20ClNO2 — CID 66812884

IUPAC(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
SMILESCCC[C@H](N)[C@H](O)c1cccc(OC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-5-11(13)12(14)9-6-4-7-10(8-9)15-2;/h4,6-8,11-12,14H,3,5,13H2,1-2H3;1H/t11-,12+;/m0./s1
InChIKeyQTFKNCSIQMGODA-ZVWHLABXSA-N
MW245.75 g/mol
LogP2.28
Rot. Bonds5

About (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride

(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride (PubChem CID 66812884) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
PubChem CID66812884
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
SMILESCCC[C@H](N)[C@H](O)c1cccc(OC)c1.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-3-5-11(13)12(14)9-6-4-7-10(8-9)15-2;/h4,6-8,11-12,14H,3,5,13H2,1-2H3;1H/t11-,12+;/m0./s1
InChIKeyQTFKNCSIQMGODA-ZVWHLABXSA-N
XLogP2.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
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CID 171219723
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol
CID 71503540
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
CID 83928970
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride (CID 66812884) is (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride is CCC[C@H](N)[C@H](O)c1cccc(OC)c1.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride?
The InChIKey is QTFKNCSIQMGODA-ZVWHLABXSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-3-5-11(13)12(14)9-6-4-7-10(8-9)15-2;/h4,6-8,11-12,14H,3,5,13H2,1-2H3;1H/t11-,12+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride?
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride is sourced from PubChem (CID 66812884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).