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

C10H14ClNO2 — CID 131188057

IUPAC2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
SMILESCC[C@@H](N)c1c(OC)ccc(Cl)c1O
InChIInChI=1S/C10H14ClNO2/c1-3-7(12)9-8(14-2)5-4-6(11)10(9)13/h4-5,7,13H,3,12H2,1-2H3/t7-/m1/s1
InChIKeyJILQJRMPVCSNIE-SSDOTTSWSA-N
MW215.68 g/mol
LogP2.46
Rot. Bonds3

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

2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol (PubChem CID 131188057) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
PubChem CID131188057
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
SMILESCC[C@@H](N)c1c(OC)ccc(Cl)c1O
InChIInChI=1S/C10H14ClNO2/c1-3-7(12)9-8(14-2)5-4-6(11)10(9)13/h4-5,7,13H,3,12H2,1-2H3/t7-/m1/s1
InChIKeyJILQJRMPVCSNIE-SSDOTTSWSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.46
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;hydrochloride
CID 171257502
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
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
2-[(1S)-1-aminopropyl]-3-chlorophenol
CID 55254925
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376
2-(4-aminobutan-2-yl)-3-chloro-6-methoxyphenol
CID 117331674

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol?
The IUPAC name of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol (CID 131188057) is 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol is CC[C@@H](N)c1c(OC)ccc(Cl)c1O.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol?
The InChIKey is JILQJRMPVCSNIE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-7(12)9-8(14-2)5-4-6(11)10(9)13/h4-5,7,13H,3,12H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol?
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol has a molecular weight of 215.68 g/mol, XLogP of 2.46, 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 is sourced from PubChem (CID 131188057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).