2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride

C10H16ClNO3 — CID 171231919

IUPAC2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
SMILESCOc1cccc([C@@H](N)CCO)c1O.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-14-9-4-2-3-7(10(9)13)8(11)5-6-12;/h2-4,8,12-13H,5-6,11H2,1H3;1H/t8-;/m0./s1
InChIKeyFBDPAUMSWJTTKR-QRPNPIFTSA-N
MW233.69 g/mol
LogP1.20
Rot. Bonds4

About 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride

2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride (PubChem CID 171231919) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
PubChem CID171231919
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
SMILESCOc1cccc([C@@H](N)CCO)c1O.Cl
InChIInChI=1S/C10H15NO3.ClH/c1-14-9-4-2-3-7(10(9)13)8(11)5-6-12;/h2-4,8,12-13H,5-6,11H2,1H3;1H/t8-;/m0./s1
InChIKeyFBDPAUMSWJTTKR-QRPNPIFTSA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
CID 83830990
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260133
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
CID 83930616
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride (CID 171231919) is 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride is COc1cccc([C@@H](N)CCO)c1O.Cl.
What is the InChIKey of 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride?
The InChIKey is FBDPAUMSWJTTKR-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H15NO3.ClH/c1-14-9-4-2-3-7(10(9)13)8(11)5-6-12;/h2-4,8,12-13H,5-6,11H2,1H3;1H/t8-;/m0./s1.
What are the key properties of 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride?
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171231919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).