5-[(1S)-1-aminoethyl]-2-methoxyphenol

C9H13NO2 — CID 55253033

IUPAC5-[(1S)-1-aminoethyl]-2-methoxyphenol
SMILESCOc1ccc([C@H](C)N)cc1O
InChIInChI=1S/C9H13NO2/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-6,11H,10H2,1-2H3/t6-/m0/s1
InChIKeyDZLWXRQGMAKTBG-LURJTMIESA-N
MW167.21 g/mol
LogP1.42
Rot. Bonds2

About 5-[(1S)-1-aminoethyl]-2-methoxyphenol

5-[(1S)-1-aminoethyl]-2-methoxyphenol (PubChem CID 55253033) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-2-methoxyphenol
PubChem CID55253033
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-[(1S)-1-aminoethyl]-2-methoxyphenol
SMILESCOc1ccc([C@H](C)N)cc1O
InChIInChI=1S/C9H13NO2/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-6,11H,10H2,1-2H3/t6-/m0/s1
InChIKeyDZLWXRQGMAKTBG-LURJTMIESA-N
XLogP1.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
5-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2-methoxyphenol
CID 171160749
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-2-methoxyphenol?
The IUPAC name of 5-[(1S)-1-aminoethyl]-2-methoxyphenol (CID 55253033) is 5-[(1S)-1-aminoethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-2-methoxyphenol is COc1ccc([C@H](C)N)cc1O.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-2-methoxyphenol?
The InChIKey is DZLWXRQGMAKTBG-LURJTMIESA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-6,11H,10H2,1-2H3/t6-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-2-methoxyphenol?
5-[(1S)-1-aminoethyl]-2-methoxyphenol has a molecular weight of 167.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-2-methoxyphenol is sourced from PubChem (CID 55253033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).