2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride

C10H15Cl2NO2 — CID 171257502

IUPAC2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1c(OC)ccc(Cl)c1O.Cl
InChIInChI=1S/C10H14ClNO2.ClH/c1-3-7(12)9-8(14-2)5-4-6(11)10(9)13;/h4-5,7,13H,3,12H2,1-2H3;1H/t7-;/m1./s1
InChIKeyYOGYPGDKGVSPQN-OGFXRTJISA-N
MW252.14 g/mol
LogP2.89
Rot. Bonds3

About 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride

2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride (PubChem CID 171257502) has the molecular formula C10H15Cl2NO2 and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
PubChem CID171257502
Molecular FormulaC10H15Cl2NO2
Molecular Weight252.14 g/mol
Exact Mass251.05
IUPAC Name2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1c(OC)ccc(Cl)c1O.Cl
InChIInChI=1S/C10H14ClNO2.ClH/c1-3-7(12)9-8(14-2)5-4-6(11)10(9)13;/h4-5,7,13H,3,12H2,1-2H3;1H/t7-;/m1./s1
InChIKeyYOGYPGDKGVSPQN-OGFXRTJISA-N
XLogP2.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
CID 131188057
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
2-[(1R)-1-amino-3-methylbut-3-enyl]-6-chloro-3-methoxyphenol
CID 171257550
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol
CID 117331674
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride (CID 171257502) is 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride is CC[C@@H](N)c1c(OC)ccc(Cl)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride?
The InChIKey is YOGYPGDKGVSPQN-OGFXRTJISA-N. The full InChI is InChI=1S/C10H14ClNO2.ClH/c1-3-7(12)9-8(14-2)5-4-6(11)10(9)13;/h4-5,7,13H,3,12H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride?
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride has a molecular weight of 252.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride is sourced from PubChem (CID 171257502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).