2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine

C16H14Cl2N2 — CID 3298744

IUPAC2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine
SMILESNCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14Cl2N2/c17-10-5-6-11(15(18)7-10)13(8-19)14-9-20-16-4-2-1-3-12(14)16/h1-7,9,13,20H,8,19H2
InChIKeyZPKMAEIACURLLY-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.57
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine

2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine (PubChem CID 3298744) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine
PubChem CID3298744
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine
SMILESNCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14Cl2N2/c17-10-5-6-11(15(18)7-10)13(8-19)14-9-20-16-4-2-1-3-12(14)16/h1-7,9,13,20H,8,19H2
InChIKeyZPKMAEIACURLLY-UHFFFAOYSA-N
XLogP4.57
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine (CID 3298744) is 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine is NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine?
The InChIKey is ZPKMAEIACURLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c17-10-5-6-11(15(18)7-10)13(8-19)14-9-20-16-4-2-1-3-12(14)16/h1-7,9,13,20H,8,19H2.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine?
2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine has a molecular weight of 305.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 3298744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).