methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride

C19H26BrClN2O3 — CID 126478465

IUPACmethyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(CNC2CCCCC2)n(C)c2cc(Br)c(OC)cc12.Cl
InChIInChI=1S/C19H25BrN2O3.ClH/c1-22-15-10-14(20)17(24-2)9-13(15)18(19(23)25-3)16(22)11-21-12-7-5-4-6-8-12;/h9-10,12,21H,4-8,11H2,1-3H3;1H
InChIKeyZWDBWXOJHHIXPF-UHFFFAOYSA-N
MW445.79 g/mol
LogP4.58
Rot. Bonds5

About methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride

methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride (PubChem CID 126478465) has the molecular formula C19H26BrClN2O3 and a molecular weight of 445.79 g/mol. Its IUPAC name is methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride
PubChem CID126478465
Molecular FormulaC19H26BrClN2O3
Molecular Weight445.79 g/mol
Exact Mass444.08
IUPAC Namemethyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1c(CNC2CCCCC2)n(C)c2cc(Br)c(OC)cc12.Cl
InChIInChI=1S/C19H25BrN2O3.ClH/c1-22-15-10-14(20)17(24-2)9-13(15)18(19(23)25-3)16(22)11-21-12-7-5-4-6-8-12;/h9-10,12,21H,4-8,11H2,1-3H3;1H
InChIKeyZWDBWXOJHHIXPF-UHFFFAOYSA-N
XLogP4.58
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate
CID 7302045
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
ethyl 6-bromo-5-methoxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 1124516
[6-bromo-5-methoxy-1-methyl-2-(piperidin-1-ylmethyl)indol-3-yl]-piperidin-1-ylmethanone
CID 5298865
ethyl 6-bromo-5-cyclopentyloxy-1-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]indole-3-carboxylate
CID 170076272
methyl 3-[(cyclohexylamino)methyl]-4-methoxybenzoate;hydrochloride
CID 90484155
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 43622417

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride (CID 126478465) is methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride is COC(=O)c1c(CNC2CCCCC2)n(C)c2cc(Br)c(OC)cc12.Cl.
What is the InChIKey of methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride?
The InChIKey is ZWDBWXOJHHIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O3.ClH/c1-22-15-10-14(20)17(24-2)9-13(15)18(19(23)25-3)16(22)11-21-12-7-5-4-6-8-12;/h9-10,12,21H,4-8,11H2,1-3H3;1H.
What are the key properties of methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride?
methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride has a molecular weight of 445.79 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride is sourced from PubChem (CID 126478465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).