2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron

C10H12FN2+ — CID 121393685

IUPAC2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
SMILESNCCc1c[nH]c2cc(F)ccc12.[H+]
InChIInChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2/p+1
InChIKeyBQTOKMYKZPCPRW-UHFFFAOYSA-O
MW179.22 g/mol
LogP1.92
Rot. Bonds2

About 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron

2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron (PubChem CID 121393685) has the molecular formula C10H12FN2+ and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
PubChem CID121393685
Molecular FormulaC10H12FN2+
Molecular Weight179.22 g/mol
Exact Mass179.10
IUPAC Name2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
SMILESNCCc1c[nH]c2cc(F)ccc12.[H+]
InChIInChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2/p+1
InChIKeyBQTOKMYKZPCPRW-UHFFFAOYSA-O
XLogP1.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethanamine
CID 34176010
4-amino-2-[(6-fluoro-1H-indol-3-yl)methyl]butanoic acid
CID 139519329
2-amino-4-(6-fluoro-1H-indol-3-yl)butanal;molecular hydrogen;hydrobromide
CID 145225925
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
2-[2,4-dichloro-6-[2-(6-fluoro-1H-indol-3-yl)ethoxy]pyrimidin-5-yl]oxyethanamine
CID 171573132

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron (CID 121393685) is 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron is NCCc1c[nH]c2cc(F)ccc12.[H+].
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron?
The InChIKey is BQTOKMYKZPCPRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2/p+1.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron?
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron has a molecular weight of 179.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron is sourced from PubChem (CID 121393685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).