2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol

C11H17NO3 — CID 117301771

IUPAC2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)cc(C(O)CN)c1
InChIInChI=1S/C11H17NO3/c1-14-7-8-3-9(11(13)6-12)5-10(4-8)15-2/h3-5,11,13H,6-7,12H2,1-2H3
InChIKeyHXXFYAKKQVRPMQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol

2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol (PubChem CID 117301771) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
PubChem CID117301771
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(OC)cc(C(O)CN)c1
InChIInChI=1S/C11H17NO3/c1-14-7-8-3-9(11(13)6-12)5-10(4-8)15-2/h3-5,11,13H,6-7,12H2,1-2H3
InChIKeyHXXFYAKKQVRPMQ-UHFFFAOYSA-N
XLogP0.83
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117323071
2-amino-1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]ethanol
CID 117355251
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
CID 117339623
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
2-(3-methoxy-5-propan-2-ylphenyl)ethanol
CID 71373713
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500392
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol (CID 117301771) is 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol is COCc1cc(OC)cc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol?
The InChIKey is HXXFYAKKQVRPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-7-8-3-9(11(13)6-12)5-10(4-8)15-2/h3-5,11,13H,6-7,12H2,1-2H3.
What are the key properties of 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol?
2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117301771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).