4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride

C10H16ClNO3 — CID 171266996

IUPAC4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)[C@@H](C)O.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(12)10(11)8-4-3-7(13)5-9(8)14-2;/h3-6,10,12-13H,11H2,1-2H3;1H/t6-,10-;/m1./s1
InChIKeyDTIBKSYUIYAWBX-MIWKYWLESA-N
MW233.69 g/mol
LogP1.20
Rot. Bonds3

About 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride

4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride (PubChem CID 171266996) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
PubChem CID171266996
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
SMILESCOc1cc(O)ccc1[C@H](N)[C@@H](C)O.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-6(12)10(11)8-4-3-7(13)5-9(8)14-2;/h3-6,10,12-13H,11H2,1-2H3;1H/t6-,10-;/m1./s1
InChIKeyDTIBKSYUIYAWBX-MIWKYWLESA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-3-methoxyphenol
CID 171261323
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-3-methoxyphenol;hydrochloride
CID 171261336
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-3-methoxyphenol;hydrochloride
CID 171267020
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3-methoxyphenol;hydrochloride
CID 171312191

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride (CID 171266996) is 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride is COc1cc(O)ccc1[C@H](N)[C@@H](C)O.Cl.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride?
The InChIKey is DTIBKSYUIYAWBX-MIWKYWLESA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-6(12)10(11)8-4-3-7(13)5-9(8)14-2;/h3-6,10,12-13H,11H2,1-2H3;1H/t6-,10-;/m1./s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride?
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171266996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).