2-[5-(methylamino)indol-1-yl]ethyl acetate

C13H16N2O2 — CID 174496711

IUPAC2-[5-(methylamino)indol-1-yl]ethyl acetate
SMILESCNc1ccc2c(ccn2CCOC(C)=O)c1
InChIInChI=1S/C13H16N2O2/c1-10(16)17-8-7-15-6-5-11-9-12(14-2)3-4-13(11)15/h3-6,9,14H,7-8H2,1-2H3
InChIKeyVEAQKAMAIKFVOE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.25
Rot. Bonds4

About 2-[5-(methylamino)indol-1-yl]ethyl acetate

2-[5-(methylamino)indol-1-yl]ethyl acetate (PubChem CID 174496711) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[5-(methylamino)indol-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-(methylamino)indol-1-yl]ethyl acetate
PubChem CID174496711
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[5-(methylamino)indol-1-yl]ethyl acetate
SMILESCNc1ccc2c(ccn2CCOC(C)=O)c1
InChIInChI=1S/C13H16N2O2/c1-10(16)17-8-7-15-6-5-11-9-12(14-2)3-4-13(11)15/h3-6,9,14H,7-8H2,1-2H3
InChIKeyVEAQKAMAIKFVOE-UHFFFAOYSA-N
XLogP2.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)indol-5-yl]-3-prop-2-enylurea
CID 56825864
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
1-[1-(2-methoxyethyl)indol-5-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71992317
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
CID 96518060
2-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]indol-1-yl]ethyl acetate
CID 170313430
N-[1-(2-methoxyethyl)indol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51101816
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)indol-1-yl]ethyl acetate?
The IUPAC name of 2-[5-(methylamino)indol-1-yl]ethyl acetate (CID 174496711) is 2-[5-(methylamino)indol-1-yl]ethyl acetate.
What is the SMILES notation for 2-[5-(methylamino)indol-1-yl]ethyl acetate?
The canonical SMILES for 2-[5-(methylamino)indol-1-yl]ethyl acetate is CNc1ccc2c(ccn2CCOC(C)=O)c1.
What is the InChIKey of 2-[5-(methylamino)indol-1-yl]ethyl acetate?
The InChIKey is VEAQKAMAIKFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)17-8-7-15-6-5-11-9-12(14-2)3-4-13(11)15/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-[5-(methylamino)indol-1-yl]ethyl acetate?
2-[5-(methylamino)indol-1-yl]ethyl acetate has a molecular weight of 232.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)indol-1-yl]ethyl acetate is sourced from PubChem (CID 174496711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).