4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride

C10H16ClNO2 — CID 112500437

IUPAC4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride
SMILESCNC[C@H](OC)c1ccc(O)cc1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-11-7-10(13-2)8-3-5-9(12)6-4-8;/h3-6,10-12H,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyBAWWIKIPKGVTLJ-PPHPATTJSA-N
MW217.70 g/mol
LogP1.72
Rot. Bonds4

About 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride

4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride (PubChem CID 112500437) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride
PubChem CID112500437
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride
SMILESCNC[C@H](OC)c1ccc(O)cc1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-11-7-10(13-2)8-3-5-9(12)6-4-8;/h3-6,10-12H,7H2,1-2H3;1H/t10-;/m0./s1
InChIKeyBAWWIKIPKGVTLJ-PPHPATTJSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride (CID 112500437) is 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride is CNC[C@H](OC)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride?
The InChIKey is BAWWIKIPKGVTLJ-PPHPATTJSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-11-7-10(13-2)8-3-5-9(12)6-4-8;/h3-6,10-12H,7H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride?
4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride is sourced from PubChem (CID 112500437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).