2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine

C12H15FN2O — CID 135333176

IUPAC2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine
SMILESCOc1ccc(F)c2cc(C)n(CCN)c12
InChIInChI=1S/C12H15FN2O/c1-8-7-9-10(13)3-4-11(16-2)12(9)15(8)6-5-14/h3-4,7H,5-6,14H2,1-2H3
InChIKeyUMZLJLMKOPFYDP-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.06
Rot. Bonds3

About 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine

2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine (PubChem CID 135333176) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine
PubChem CID135333176
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine
SMILESCOc1ccc(F)c2cc(C)n(CCN)c12
InChIInChI=1S/C12H15FN2O/c1-8-7-9-10(13)3-4-11(16-2)12(9)15(8)6-5-14/h3-4,7H,5-6,14H2,1-2H3
InChIKeyUMZLJLMKOPFYDP-UHFFFAOYSA-N
XLogP2.06
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
CID 135333368
2-(7-chloro-6-fluoro-2,4-dimethylindol-1-yl)ethanamine
CID 135333171
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
CID 82498803
6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid
CID 145311600
2-(8-methoxy-5-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 82500174
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
2-(7-methoxy-3-methylindazol-1-yl)ethanamine
CID 84673302
N-[2-(6,7-difluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
CID 175702369

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine (CID 135333176) is 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine is COc1ccc(F)c2cc(C)n(CCN)c12.
What is the InChIKey of 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine?
The InChIKey is UMZLJLMKOPFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-7-9-10(13)3-4-11(16-2)12(9)15(8)6-5-14/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine?
2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine has a molecular weight of 222.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-7-methoxy-2-methylindol-1-yl)ethanamine is sourced from PubChem (CID 135333176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).