2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine

C18H19ClN2O2 — CID 132543010

IUPAC2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1CCN
InChIInChI=1S/C18H19ClN2O2/c1-22-15-9-16(23-2)17-14(11-3-5-12(19)6-4-11)10-21-18(17)13(15)7-8-20/h3-6,9-10,21H,7-8,20H2,1-2H3
InChIKeyHORXTKQTCKTTCW-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.01
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine

2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine (PubChem CID 132543010) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine
PubChem CID132543010
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine
SMILESCOc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1CCN
InChIInChI=1S/C18H19ClN2O2/c1-22-15-9-16(23-2)17-14(11-3-5-12(19)6-4-11)10-21-18(17)13(15)7-8-20/h3-6,9-10,21H,7-8,20H2,1-2H3
InChIKeyHORXTKQTCKTTCW-UHFFFAOYSA-N
XLogP4.01
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,6-dimethoxy-3-phenyl-1H-indol-7-yl)methanol
CID 86172085
3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
CID 11033510
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
N'-(3-bromopyridine-4-carbonyl)-3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole-7-carbohydrazide
CID 127027353
2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82486849
2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
CID 82303495
2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
CID 23373069
1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
CID 91038963
4-(4,6-dimethoxy-1H-indol-3-yl)phenol
CID 11391542
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-7-yl]-2-oxo-N-phenylacetamide
CID 118727783

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine (CID 132543010) is 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine is COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1CCN.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine?
The InChIKey is HORXTKQTCKTTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-22-15-9-16(23-2)17-14(11-3-5-12(19)6-4-11)10-21-18(17)13(15)7-8-20/h3-6,9-10,21H,7-8,20H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine?
2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine has a molecular weight of 330.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-7-yl]ethanamine is sourced from PubChem (CID 132543010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).