methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate

C15H19ClN2O2 — CID 83948310

IUPACmethyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCCN)c2cc(C)c(Cl)cc21
InChIInChI=1S/C15H19ClN2O2/c1-10-6-12-11(4-3-5-17)8-18(9-15(19)20-2)14(12)7-13(10)16/h6-8H,3-5,9,17H2,1-2H3
InChIKeyIVODKAJGJYECRU-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.67
Rot. Bonds5

About methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate

methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate (PubChem CID 83948310) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate
PubChem CID83948310
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Namemethyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1cc(CCCN)c2cc(C)c(Cl)cc21
InChIInChI=1S/C15H19ClN2O2/c1-10-6-12-11(4-3-5-17)8-18(9-15(19)20-2)14(12)7-13(10)16/h6-8H,3-5,9,17H2,1-2H3
InChIKeyIVODKAJGJYECRU-UHFFFAOYSA-N
XLogP2.67
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
CID 83948562
2-[3-(3-aminopropyl)-6-chloroindol-1-yl]acetic acid
CID 83945236
2-[6-chloro-5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947423
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
methyl 2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetate
CID 83946726
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
methyl 2-[5-methyl-3-(3-piperazin-1-ylpropyl)indol-1-yl]acetate
CID 83949055
2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944371
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate (CID 83948310) is methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate is COC(=O)Cn1cc(CCCN)c2cc(C)c(Cl)cc21.
What is the InChIKey of methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate?
The InChIKey is IVODKAJGJYECRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10-6-12-11(4-3-5-17)8-18(9-15(19)20-2)14(12)7-13(10)16/h6-8H,3-5,9,17H2,1-2H3.
What are the key properties of methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate?
methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate has a molecular weight of 294.78 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-aminopropyl)-6-chloro-5-methylindol-1-yl]acetate is sourced from PubChem (CID 83948310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).