1-(5-chloro-1H-indol-3-yl)ethanamine

C10H11ClN2 — CID 3016992

IUPAC1-(5-chloro-1H-indol-3-yl)ethanamine
SMILESCC(N)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H11ClN2/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,13H,12H2,1H3
InChIKeyGJKSSUZKPLVSFA-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.84
Rot. Bonds1

About 1-(5-chloro-1H-indol-3-yl)ethanamine

1-(5-chloro-1H-indol-3-yl)ethanamine (PubChem CID 3016992) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)ethanamine
PubChem CID3016992
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name1-(5-chloro-1H-indol-3-yl)ethanamine
SMILESCC(N)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H11ClN2/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,13H,12H2,1H3
InChIKeyGJKSSUZKPLVSFA-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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Related Compounds

(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
1-(5-methylsulfonyl-1H-indol-3-yl)ethanamine
CID 83984878
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)ethanamine (CID 3016992) is 1-(5-chloro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)ethanamine is CC(N)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)ethanamine?
The InChIKey is GJKSSUZKPLVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6(12)9-5-13-10-3-2-7(11)4-8(9)10/h2-6,13H,12H2,1H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)ethanamine?
1-(5-chloro-1H-indol-3-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-(5-chloro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 3016992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).