2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride

C11H18ClNO2 — CID 171216004

IUPAC2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
SMILESCCOc1cccc([C@H](N)CC)c1O.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-9(12)8-6-5-7-10(11(8)13)14-4-2;/h5-7,9,13H,3-4,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyKKURKGIXTSJQFT-SBSPUUFOSA-N
MW231.72 g/mol
LogP2.62
Rot. Bonds4

About 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride

2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride (PubChem CID 171216004) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
PubChem CID171216004
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride
SMILESCCOc1cccc([C@H](N)CC)c1O.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-3-9(12)8-6-5-7-10(11(8)13)14-4-2;/h5-7,9,13H,3-4,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyKKURKGIXTSJQFT-SBSPUUFOSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-amino-2-fluoroethyl]-6-ethoxyphenol;hydrochloride
CID 171235629
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
2-[(S)-amino(thiophen-2-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216033
2-[(S)-amino(thiophen-3-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216035
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride (CID 171216004) is 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride is CCOc1cccc([C@H](N)CC)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride?
The InChIKey is KKURKGIXTSJQFT-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-3-9(12)8-6-5-7-10(11(8)13)14-4-2;/h5-7,9,13H,3-4,12H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride?
2-[(1R)-1-aminopropyl]-6-ethoxyphenol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.62, 4 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-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171216004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).