2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride

C20H33ClN2O — CID 134155855

IUPAC2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
SMILESCC(C)CCCC(C)CCOc1ccc2[nH]cc(CCN)c2c1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15(2)5-4-6-16(3)10-12-23-18-7-8-20-19(13-18)17(9-11-21)14-22-20;/h7-8,13-16,22H,4-6,9-12,21H2,1-3H3;1H
InChIKeyPSNXFPXWFVPMQT-UHFFFAOYSA-N
MW352.95 g/mol
LogP5.32
Rot. Bonds10

About 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride

2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride (PubChem CID 134155855) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
PubChem CID134155855
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC Name2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
SMILESCC(C)CCCC(C)CCOc1ccc2[nH]cc(CCN)c2c1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15(2)5-4-6-16(3)10-12-23-18-7-8-20-19(13-18)17(9-11-21)14-22-20;/h7-8,13-16,22H,4-6,9-12,21H2,1-3H3;1H
InChIKeyPSNXFPXWFVPMQT-UHFFFAOYSA-N
XLogP5.32
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.95
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-(5-dodecoxy-1H-indol-3-yl)ethanamine;2-[5-(2-ethylhexoxy)-1H-indol-3-yl]ethanamine;2-(5-hexadecoxy-1H-indol-3-yl)ethanamine;2-(5-tetradecoxy-1H-indol-3-yl)ethanamine
CID 161238590
5-decoxy-3-propyl-1H-indole;5-(3,7-dimethyloctoxy)-3-propyl-1H-indole;methane;1-nonoxy-3-propylbenzene;1-nonoxy-4-propylbenzene;5-nonoxy-3-propyl-1H-indole;5-(7-phenylheptoxy)-3-propyl-1H-indole
CID 159074166
N-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexyl]methanesulfonamide;hydrochloride
CID 22097965
2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
CID 75366101
2-[4-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]butyl]isoindole-1,3-dione;hydrochloride
CID 19029941
2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
CID 71510842
2-[5-[(4-iodophenyl)methoxy]-1H-indol-3-yl]ethanamine
CID 154204464

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride (CID 134155855) is 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride is CC(C)CCCC(C)CCOc1ccc2[nH]cc(CCN)c2c1.Cl.
What is the InChIKey of 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
The InChIKey is PSNXFPXWFVPMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-15(2)5-4-6-16(3)10-12-23-18-7-8-20-19(13-18)17(9-11-21)14-22-20;/h7-8,13-16,22H,4-6,9-12,21H2,1-3H3;1H.
What are the key properties of 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 5.32, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 134155855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).