2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride

C12H18ClNO2 — CID 171231890

IUPAC2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
SMILESCOc1cccc([C@@H](N)CC2CC2)c1O.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-11-4-2-3-9(12(11)14)10(13)7-8-5-6-8;/h2-4,8,10,14H,5-7,13H2,1H3;1H/t10-;/m0./s1
InChIKeyZPMMYIZEHKWORY-PPHPATTJSA-N
MW243.73 g/mol
LogP2.62
Rot. Bonds4

About 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride

2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride (PubChem CID 171231890) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
PubChem CID171231890
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
SMILESCOc1cccc([C@@H](N)CC2CC2)c1O.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-15-11-4-2-3-9(12(11)14)10(13)7-8-5-6-8;/h2-4,8,10,14H,5-7,13H2,1H3;1H/t10-;/m0./s1
InChIKeyZPMMYIZEHKWORY-PPHPATTJSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.62
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-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260133

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride (CID 171231890) is 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride is COc1cccc([C@@H](N)CC2CC2)c1O.Cl.
What is the InChIKey of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride?
The InChIKey is ZPMMYIZEHKWORY-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-15-11-4-2-3-9(12(11)14)10(13)7-8-5-6-8;/h2-4,8,10,14H,5-7,13H2,1H3;1H/t10-;/m0./s1.
What are the key properties of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride?
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride has a molecular weight of 243.73 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-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 171231890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).