propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride

C15H21ClN2O2 — CID 70112506

IUPACpropan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1cn(C)c2cc(OC)ccc12)OC(C)C
InChIInChI=1S/C15H20N2O2.ClH/c1-10(2)19-15(16)7-11-9-17(3)14-8-12(18-4)5-6-13(11)14;/h5-6,8-10,16H,7H2,1-4H3;1H/b16-15-;
InChIKeyNXSKAFXOBAPOFO-YFKNTREVSA-N
MW296.80 g/mol
LogP3.55
Rot. Bonds4

About propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride

propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride (PubChem CID 70112506) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride
PubChem CID70112506
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Namepropan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1cn(C)c2cc(OC)ccc12)OC(C)C
InChIInChI=1S/C15H20N2O2.ClH/c1-10(2)19-15(16)7-11-9-17(3)14-8-12(18-4)5-6-13(11)14;/h5-6,8-10,16H,7H2,1-4H3;1H/b16-15-;
InChIKeyNXSKAFXOBAPOFO-YFKNTREVSA-N
XLogP3.55
TPSA47.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
3-(6-methoxy-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117122358
methyl 2-[1-methyl-6-(trifluoromethylsulfonyloxy)indol-3-yl]acetate
CID 86625402
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
CID 115506313
(3R,8aR)-2-[(6-methoxy-1-methylindol-3-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792219
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
CID 40901056
3-[(3-methoxyphenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178696

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride?
The IUPAC name of propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride (CID 70112506) is propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride?
The canonical SMILES for propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1cn(C)c2cc(OC)ccc12)OC(C)C.
What is the InChIKey of propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride?
The InChIKey is NXSKAFXOBAPOFO-YFKNTREVSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-10(2)19-15(16)7-11-9-17(3)14-8-12(18-4)5-6-13(11)14;/h5-6,8-10,16H,7H2,1-4H3;1H/b16-15-;.
What are the key properties of propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride?
propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-methoxy-1-methylindol-3-yl)ethanimidate;hydrochloride is sourced from PubChem (CID 70112506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).