2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol

C13H19NO2 — CID 171216016

IUPAC2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
SMILESCCOc1cccc([C@H](N)CC2CC2)c1O
InChIInChI=1S/C13H19NO2/c1-2-16-12-5-3-4-10(13(12)15)11(14)8-9-6-7-9/h3-5,9,11,15H,2,6-8,14H2,1H3/t11-/m1/s1
InChIKeyJRVARXVAFSGDEJ-LLVKDONJSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds5

About 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol

2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol (PubChem CID 171216016) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
PubChem CID171216016
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
SMILESCCOc1cccc([C@H](N)CC2CC2)c1O
InChIInChI=1S/C13H19NO2/c1-2-16-12-5-3-4-10(13(12)15)11(14)8-9-6-7-9/h3-5,9,11,15H,2,6-8,14H2,1H3/t11-/m1/s1
InChIKeyJRVARXVAFSGDEJ-LLVKDONJSA-N
XLogP2.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
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-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
CID 171216004
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
CID 171235629
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol (CID 171216016) is 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol is CCOc1cccc([C@H](N)CC2CC2)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol?
The InChIKey is JRVARXVAFSGDEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-12-5-3-4-10(13(12)15)11(14)8-9-6-7-9/h3-5,9,11,15H,2,6-8,14H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol?
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol has a molecular weight of 221.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol is sourced from PubChem (CID 171216016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).