2-(4-fluoro-1-methylindol-5-yl)ethanamine

C11H13FN2 — CID 96624175

IUPAC2-(4-fluoro-1-methylindol-5-yl)ethanamine
SMILESCn1ccc2c(F)c(CCN)ccc21
InChIInChI=1S/C11H13FN2/c1-14-7-5-9-10(14)3-2-8(4-6-13)11(9)12/h2-3,5,7H,4,6,13H2,1H3
InChIKeyIYQPFRHCRFMQHD-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.82
Rot. Bonds2

About 2-(4-fluoro-1-methylindol-5-yl)ethanamine

2-(4-fluoro-1-methylindol-5-yl)ethanamine (PubChem CID 96624175) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylindol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-1-methylindol-5-yl)ethanamine
PubChem CID96624175
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(4-fluoro-1-methylindol-5-yl)ethanamine
SMILESCn1ccc2c(F)c(CCN)ccc21
InChIInChI=1S/C11H13FN2/c1-14-7-5-9-10(14)3-2-8(4-6-13)11(9)12/h2-3,5,7H,4,6,13H2,1H3
InChIKeyIYQPFRHCRFMQHD-UHFFFAOYSA-N
XLogP1.82
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-difluoro-1-methylindole
CID 126599832
4-(4-methoxy-1-methylindol-5-yl)butan-1-amine
CID 117336846
2-(6-fluoro-1-methylindol-5-yl)ethanamine;hydrochloride
CID 135381436
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
methyl 2-(4-fluoro-1-methylindol-5-yl)-2-hydroxyacetate
CID 117346082
4-(5-fluoro-1-methylindol-6-yl)butan-1-amine
CID 115003362
1-methyl-4-propylindole
CID 59939717
2-(4-chloro-1-methylindol-5-yl)acetonitrile
CID 84778134
4-(2,2-dimethylpropyl)-1-methylindole
CID 69029951

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylindol-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-1-methylindol-5-yl)ethanamine (CID 96624175) is 2-(4-fluoro-1-methylindol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-1-methylindol-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-1-methylindol-5-yl)ethanamine is Cn1ccc2c(F)c(CCN)ccc21.
What is the InChIKey of 2-(4-fluoro-1-methylindol-5-yl)ethanamine?
The InChIKey is IYQPFRHCRFMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-14-7-5-9-10(14)3-2-8(4-6-13)11(9)12/h2-3,5,7H,4,6,13H2,1H3.
What are the key properties of 2-(4-fluoro-1-methylindol-5-yl)ethanamine?
2-(4-fluoro-1-methylindol-5-yl)ethanamine has a molecular weight of 192.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylindol-5-yl)ethanamine is sourced from PubChem (CID 96624175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).