3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride

C20H25ClN2O2 — CID 166732600

IUPAC3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
SMILESCOc1ccccc1CN(C)CCc1cn(C)c2cccc(O)c12.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-21(13-15-7-4-5-10-19(15)24-3)12-11-16-14-22(2)17-8-6-9-18(23)20(16)17;/h4-10,14,23H,11-13H2,1-3H3;1H
InChIKeyFXKOADOFLIFZNZ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.99
Rot. Bonds6

About 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride

3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride (PubChem CID 166732600) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride.

Molecular Properties

Compound Name3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
PubChem CID166732600
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride
SMILESCOc1ccccc1CN(C)CCc1cn(C)c2cccc(O)c12.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-21(13-15-7-4-5-10-19(15)24-3)12-11-16-14-22(2)17-8-6-9-18(23)20(16)17;/h4-10,14,23H,11-13H2,1-3H3;1H
InChIKeyFXKOADOFLIFZNZ-UHFFFAOYSA-N
XLogP3.99
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol
CID 156852043
tert-butyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 156852033
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium
CID 156698146
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
N-(methoxymethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115259030

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride?
The IUPAC name of 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride (CID 166732600) is 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride.
What is the SMILES notation for 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride?
The canonical SMILES for 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride is COc1ccccc1CN(C)CCc1cn(C)c2cccc(O)c12.Cl.
What is the InChIKey of 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride?
The InChIKey is FXKOADOFLIFZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-21(13-15-7-4-5-10-19(15)24-3)12-11-16-14-22(2)17-8-6-9-18(23)20(16)17;/h4-10,14,23H,11-13H2,1-3H3;1H.
What are the key properties of 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride?
3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-1-methylindol-4-ol;hydrochloride is sourced from PubChem (CID 166732600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).