4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride

C10H16ClNO2 — CID 171203078

IUPAC4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-8(11)7-4-5-9(12)10(6-7)13-2;/h4-6,8,12H,3,11H2,1-2H3;1H/t8-;/m1./s1
InChIKeySQONBUDMBAVKTH-DDWIOCJRSA-N
MW217.70 g/mol
LogP2.23
Rot. Bonds3

About 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride

4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride (PubChem CID 171203078) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
PubChem CID171203078
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1ccc(O)c(OC)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-8(11)7-4-5-9(12)10(6-7)13-2;/h4-6,8,12H,3,11H2,1-2H3;1H/t8-;/m1./s1
InChIKeySQONBUDMBAVKTH-DDWIOCJRSA-N
XLogP2.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
CID 165346911

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride (CID 171203078) is 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride is CC[C@@H](N)c1ccc(O)c(OC)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride?
The InChIKey is SQONBUDMBAVKTH-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-3-8(11)7-4-5-9(12)10(6-7)13-2;/h4-6,8,12H,3,11H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride?
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 171203078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).