2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine

C16H14Cl2N2 — CID 21484714

IUPAC2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2/c17-11-5-6-16-13(9-11)14(10-20(16)8-7-19)12-3-1-2-4-15(12)18/h1-6,9-10H,7-8,19H2
InChIKeyCVFSXYWJVAJVOZ-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.57
Rot. Bonds3

About 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine

2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine (PubChem CID 21484714) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine
PubChem CID21484714
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2N2/c17-11-5-6-16-13(9-11)14(10-20(16)8-7-19)12-3-1-2-4-15(12)18/h1-6,9-10H,7-8,19H2
InChIKeyCVFSXYWJVAJVOZ-UHFFFAOYSA-N
XLogP4.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-chlorophenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129185729
2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine
CID 129193663
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
3-(5-chloro-1-prop-2-ynylindol-3-yl)propan-1-amine
CID 89457230
5-chloro-1-(2-hydroxyethyl)indole-3-carbaldehyde
CID 83499030
5-chloro-1-ethyl-3-methylindole
CID 23383492
4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 123323218
3-[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]propan-1-amine
CID 170868081
[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate
CID 174331834
3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-4-yl)indol-1-yl]propan-1-amine
CID 129185791
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine?
The IUPAC name of 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine (CID 21484714) is 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine?
The canonical SMILES for 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine is NCCn1cc(-c2ccccc2Cl)c2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine?
The InChIKey is CVFSXYWJVAJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c17-11-5-6-16-13(9-11)14(10-20(16)8-7-19)12-3-1-2-4-15(12)18/h1-6,9-10H,7-8,19H2.
What are the key properties of 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine?
2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine has a molecular weight of 305.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(2-chlorophenyl)indol-1-yl]ethanamine is sourced from PubChem (CID 21484714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).