1-(7-chloro-1H-indol-2-yl)ethanamine

C10H11ClN2 — CID 65333202

IUPAC1-(7-chloro-1H-indol-2-yl)ethanamine
SMILESCC(N)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C10H11ClN2/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h2-6,13H,12H2,1H3
InChIKeyPZUMJKZWTDNOCK-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.84
Rot. Bonds1

About 1-(7-chloro-1H-indol-2-yl)ethanamine

1-(7-chloro-1H-indol-2-yl)ethanamine (PubChem CID 65333202) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(7-chloro-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-1H-indol-2-yl)ethanamine
PubChem CID65333202
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name1-(7-chloro-1H-indol-2-yl)ethanamine
SMILESCC(N)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C10H11ClN2/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h2-6,13H,12H2,1H3
InChIKeyPZUMJKZWTDNOCK-UHFFFAOYSA-N
XLogP2.84
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indol-2-yl)ethanamine?
The IUPAC name of 1-(7-chloro-1H-indol-2-yl)ethanamine (CID 65333202) is 1-(7-chloro-1H-indol-2-yl)ethanamine.
What is the SMILES notation for 1-(7-chloro-1H-indol-2-yl)ethanamine?
The canonical SMILES for 1-(7-chloro-1H-indol-2-yl)ethanamine is CC(N)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 1-(7-chloro-1H-indol-2-yl)ethanamine?
The InChIKey is PZUMJKZWTDNOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6(12)9-5-7-3-2-4-8(11)10(7)13-9/h2-6,13H,12H2,1H3.
What are the key properties of 1-(7-chloro-1H-indol-2-yl)ethanamine?
1-(7-chloro-1H-indol-2-yl)ethanamine has a molecular weight of 194.66 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 65333202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).