2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline

C16H14Cl2N2 — CID 63504515

IUPAC2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
SMILESClc1ccc2ccn(CCNc3ccccc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2/c17-13-6-5-12-7-9-20(16(12)11-13)10-8-19-15-4-2-1-3-14(15)18/h1-7,9,11,19H,8,10H2
InChIKeyNJRUEQIHBRRREO-UHFFFAOYSA-N
MW305.21 g/mol
LogP5.06
Rot. Bonds4

About 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline

2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline (PubChem CID 63504515) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
PubChem CID63504515
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline
SMILESClc1ccc2ccn(CCNc3ccccc3Cl)c2c1
InChIInChI=1S/C16H14Cl2N2/c17-13-6-5-12-7-9-20(16(12)11-13)10-8-19-15-4-2-1-3-14(15)18/h1-7,9,11,19H,8,10H2
InChIKeyNJRUEQIHBRRREO-UHFFFAOYSA-N
XLogP5.06
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.21
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-indol-1-ylethyl)aniline
CID 55195314
1-[2-(2-chloroanilino)ethyl]quinolin-4-one
CID 62564944
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505809
2-fluoro-N-(2-indol-1-ylethyl)aniline
CID 62562125
4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505975
2-(6-chloroindol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62562363
1-butyl-6-chloroindole
CID 67583801
1-(4-bromobutyl)-6-chloroindole
CID 135074562
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
N-[2-(6-chloroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62562539
6-chloro-1-(2-pyridin-2-ylethyl)indole
CID 116620589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline (CID 63504515) is 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline is Clc1ccc2ccn(CCNc3ccccc3Cl)c2c1.
What is the InChIKey of 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline?
The InChIKey is NJRUEQIHBRRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c17-13-6-5-12-7-9-20(16(12)11-13)10-8-19-15-4-2-1-3-14(15)18/h1-7,9,11,19H,8,10H2.
What are the key properties of 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline?
2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline has a molecular weight of 305.21 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6-chloroindol-1-yl)ethyl]aniline is sourced from PubChem (CID 63504515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).