2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol

C12H19NO3 — CID 104583670

IUPAC2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC[C@H](C)O)c(O)c1
InChIInChI=1S/C12H19NO3/c1-8(14)7-13-9(2)11-5-4-10(16-3)6-12(11)15/h4-6,8-9,13-15H,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyHVYPNFCGUBFHQE-IENPIDJESA-N
MW225.29 g/mol
LogP1.43
Rot. Bonds5

About 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol

2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol (PubChem CID 104583670) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
PubChem CID104583670
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC[C@H](C)O)c(O)c1
InChIInChI=1S/C12H19NO3/c1-8(14)7-13-9(2)11-5-4-10(16-3)6-12(11)15/h4-6,8-9,13-15H,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyHVYPNFCGUBFHQE-IENPIDJESA-N
XLogP1.43
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611
2-[1-[(2-hydroxy-4,4-dimethylpentyl)amino]ethyl]-5-methoxyphenol
CID 104582540
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol (CID 104583670) is 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NC[C@H](C)O)c(O)c1.
What is the InChIKey of 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol?
The InChIKey is HVYPNFCGUBFHQE-IENPIDJESA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(14)7-13-9(2)11-5-4-10(16-3)6-12(11)15/h4-6,8-9,13-15H,7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol?
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 104583670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).