2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline

C17H15ClN2 — CID 163531728

IUPAC2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline
SMILESC=C(c1c[nH]c2ccccc12)N(C)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2/c1-12(20(2)17-10-6-4-8-15(17)18)14-11-19-16-9-5-3-7-13(14)16/h3-11,19H,1H2,2H3
InChIKeyDTOJMLDKUZUMBU-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.93
Rot. Bonds3

About 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline

2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline (PubChem CID 163531728) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline
PubChem CID163531728
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline
SMILESC=C(c1c[nH]c2ccccc12)N(C)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2/c1-12(20(2)17-10-6-4-8-15(17)18)14-11-19-16-9-5-3-7-13(14)16/h3-11,19H,1H2,2H3
InChIKeyDTOJMLDKUZUMBU-UHFFFAOYSA-N
XLogP4.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
(2,6-dichlorophenyl)-(1H-indol-3-yl)methanone
CID 43339266
N-oxo-1H-indole-3-carboxamide
CID 88522766
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 61259189
2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 137083857
(Z)-3-(dimethylamino)-2-(1H-indol-3-yl)prop-2-enenitrile
CID 53214353
(2R)-2-(2-chlorophenoxy)-1-(1H-indol-3-yl)propan-1-one
CID 7815825
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 135474608
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline?
The IUPAC name of 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline (CID 163531728) is 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline is C=C(c1c[nH]c2ccccc12)N(C)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline?
The InChIKey is DTOJMLDKUZUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12(20(2)17-10-6-4-8-15(17)18)14-11-19-16-9-5-3-7-13(14)16/h3-11,19H,1H2,2H3.
What are the key properties of 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline?
2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline has a molecular weight of 282.77 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(1H-indol-3-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 163531728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).