2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine

C11H16FNO2 — CID 83886037

IUPAC2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(CCN)cc(F)c1OC
InChIInChI=1S/C11H16FNO2/c1-14-7-9-5-8(3-4-13)6-10(12)11(9)15-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyACFBJYRVUWTTGU-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.48
Rot. Bonds5

About 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine

2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine (PubChem CID 83886037) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
PubChem CID83886037
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(CCN)cc(F)c1OC
InChIInChI=1S/C11H16FNO2/c1-14-7-9-5-8(3-4-13)6-10(12)11(9)15-2/h5-6H,3-4,7,13H2,1-2H3
InChIKeyACFBJYRVUWTTGU-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine 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-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
2-[3,5-difluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 79887834
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-2-methylpropan-2-amine
CID 117330478
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-N-methylethanamine
CID 117306682
(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
CID 171010748
4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine (CID 83886037) is 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine is COCc1cc(CCN)cc(F)c1OC.
What is the InChIKey of 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine?
The InChIKey is ACFBJYRVUWTTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-7-9-5-8(3-4-13)6-10(12)11(9)15-2/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine?
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine has a molecular weight of 213.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 83886037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).