2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine

C12H15Cl2N3 — CID 83948501

IUPAC2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
SMILESNCCc1cn(CCN)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H15Cl2N3/c13-10-2-1-9-8(3-4-15)7-17(6-5-16)12(9)11(10)14/h1-2,7H,3-6,15-16H2
InChIKeyPWHVHRURKFLJQY-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine

2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine (PubChem CID 83948501) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
PubChem CID83948501
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine
SMILESNCCc1cn(CCN)c2c(Cl)c(Cl)ccc12
InChIInChI=1S/C12H15Cl2N3/c13-10-2-1-9-8(3-4-15)7-17(6-5-16)12(9)11(10)14/h1-2,7H,3-6,15-16H2
InChIKeyPWHVHRURKFLJQY-UHFFFAOYSA-N
XLogP2.41
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminoethyl)-6-chloro-7-methylindol-3-yl]ethanamine
CID 83948657
2-(6,7-dichloro-3-methylindol-1-yl)ethanamine
CID 83948496
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817
2-(6,7-dichloroindol-1-yl)ethanamine
CID 83948495
2-(2,3,4-trichlorophenyl)ethanamine
CID 23356568
3-(6-chloro-1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 83948634
1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
3-(6,7-dichloro-3-methylindol-1-yl)propan-1-ol
CID 83944807
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326
6,7-dichloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83947534
2-[6-chloro-1-[(1-methyltriazol-4-yl)methyl]indol-3-yl]ethanamine
CID 107053865

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine (CID 83948501) is 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine is NCCc1cn(CCN)c2c(Cl)c(Cl)ccc12.
What is the InChIKey of 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine?
The InChIKey is PWHVHRURKFLJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c13-10-2-1-9-8(3-4-15)7-17(6-5-16)12(9)11(10)14/h1-2,7H,3-6,15-16H2.
What are the key properties of 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine?
2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine has a molecular weight of 272.18 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanamine is sourced from PubChem (CID 83948501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).