2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine

C11H13FN2O — CID 18702266

IUPAC2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cc(F)cc2c(CCN)c[nH]c12
InChIInChI=1S/C11H13FN2O/c1-15-10-5-8(12)4-9-7(2-3-13)6-14-11(9)10/h4-6,14H,2-3,13H2,1H3
InChIKeyLZSWVKSNWYRWLE-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.82
Rot. Bonds3

About 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine

2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine (PubChem CID 18702266) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
PubChem CID18702266
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
SMILESCOc1cc(F)cc2c(CCN)c[nH]c12
InChIInChI=1S/C11H13FN2O/c1-15-10-5-8(12)4-9-7(2-3-13)6-14-11(9)10/h4-6,14H,2-3,13H2,1H3
InChIKeyLZSWVKSNWYRWLE-UHFFFAOYSA-N
XLogP1.82
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-7-methoxy-1H-indole
CID 130052168
2-(5-fluoro-7-nitro-1H-indol-3-yl)ethanamine
CID 164872786
3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759440
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
CID 96618492
2-(5-methoxy-7-nitro-1H-indol-3-yl)ethanamine
CID 10934571
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
CID 82495071
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
CID 54011465

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine (CID 18702266) is 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine is COc1cc(F)cc2c(CCN)c[nH]c12.
What is the InChIKey of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine?
The InChIKey is LZSWVKSNWYRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-15-10-5-8(12)4-9-7(2-3-13)6-14-11(9)10/h4-6,14H,2-3,13H2,1H3.
What are the key properties of 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine?
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine has a molecular weight of 208.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 18702266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).