2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline

C16H16Cl2N2 — CID 54806092

IUPAC2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline
SMILESClc1cccc(NCCN2CCc3ccccc32)c1Cl
InChIInChI=1S/C16H16Cl2N2/c17-13-5-3-6-14(16(13)18)19-9-11-20-10-8-12-4-1-2-7-15(12)20/h1-7,19H,8-11H2
InChIKeyQWSACJMLWOYRJU-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.47
Rot. Bonds4

About 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline

2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline (PubChem CID 54806092) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline
PubChem CID54806092
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline
SMILESClc1cccc(NCCN2CCc3ccccc32)c1Cl
InChIInChI=1S/C16H16Cl2N2/c17-13-5-3-6-14(16(13)18)19-9-11-20-10-8-12-4-1-2-7-15(12)20/h1-7,19H,8-11H2
InChIKeyQWSACJMLWOYRJU-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2,5-dimethylaniline
CID 54806518
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline?
The IUPAC name of 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline (CID 54806092) is 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline is Clc1cccc(NCCN2CCc3ccccc32)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline?
The InChIKey is QWSACJMLWOYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-13-5-3-6-14(16(13)18)19-9-11-20-10-8-12-4-1-2-7-15(12)20/h1-7,19H,8-11H2.
What are the key properties of 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline?
2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline has a molecular weight of 307.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(2,3-dihydroindol-1-yl)ethyl]aniline is sourced from PubChem (CID 54806092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).