2-(1-chloroindol-3-yl)ethanamine

C10H11ClN2 — CID 22722065

IUPAC2-(1-chloroindol-3-yl)ethanamine
SMILESNCCc1cn(Cl)c2ccccc12
InChIInChI=1S/C10H11ClN2/c11-13-7-8(5-6-12)9-3-1-2-4-10(9)13/h1-4,7H,5-6,12H2
InChIKeyKEBRGCBEVAKCFK-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.14
Rot. Bonds2

About 2-(1-chloroindol-3-yl)ethanamine

2-(1-chloroindol-3-yl)ethanamine (PubChem CID 22722065) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(1-chloroindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-chloroindol-3-yl)ethanamine
PubChem CID22722065
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(1-chloroindol-3-yl)ethanamine
SMILESNCCc1cn(Cl)c2ccccc12
InChIInChI=1S/C10H11ClN2/c11-13-7-8(5-6-12)9-3-1-2-4-10(9)13/h1-4,7H,5-6,12H2
InChIKeyKEBRGCBEVAKCFK-UHFFFAOYSA-N
XLogP2.14
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
2-(1-ethylsulfonylindol-3-yl)ethanamine
CID 82481545
1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol
CID 170868919
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroindol-3-yl)ethanamine?
The IUPAC name of 2-(1-chloroindol-3-yl)ethanamine (CID 22722065) is 2-(1-chloroindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-chloroindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-chloroindol-3-yl)ethanamine is NCCc1cn(Cl)c2ccccc12.
What is the InChIKey of 2-(1-chloroindol-3-yl)ethanamine?
The InChIKey is KEBRGCBEVAKCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c11-13-7-8(5-6-12)9-3-1-2-4-10(9)13/h1-4,7H,5-6,12H2.
What are the key properties of 2-(1-chloroindol-3-yl)ethanamine?
2-(1-chloroindol-3-yl)ethanamine has a molecular weight of 194.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroindol-3-yl)ethanamine is sourced from PubChem (CID 22722065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).