1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate

C15H20N2O4 — CID 174581695

IUPAC1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate
SMILESCOCCCOc1cc(N)c2[nH]cc(C(C)OC=O)c2c1
InChIInChI=1S/C15H20N2O4/c1-10(21-9-18)13-8-17-15-12(13)6-11(7-14(15)16)20-5-3-4-19-2/h6-10,17H,3-5,16H2,1-2H3
InChIKeyBQTUFJYOOGMSIM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.40
Rot. Bonds8

About 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate

1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate (PubChem CID 174581695) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate.

Molecular Properties

Compound Name1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate
PubChem CID174581695
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate
SMILESCOCCCOc1cc(N)c2[nH]cc(C(C)OC=O)c2c1
InChIInChI=1S/C15H20N2O4/c1-10(21-9-18)13-8-17-15-12(13)6-11(7-14(15)16)20-5-3-4-19-2/h6-10,17H,3-5,16H2,1-2H3
InChIKeyBQTUFJYOOGMSIM-UHFFFAOYSA-N
XLogP2.40
TPSA86.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3-methoxypropoxy)-7-nitro-1H-indol-3-yl]ethyl formate
CID 175264748
1-[5-chloro-7-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl formate
CID 174600351
1-(5-chloro-7-nitro-1H-indol-3-yl)ethyl formate
CID 174599507
1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174551857
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
7-amino-3-propan-2-yl-1H-indole-5-carboxylic acid
CID 91185391
[3-(1-formyloxyethyl)-1H-indol-6-yl] benzoate
CID 174465412
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
2-chloro-4-(4-methoxybutoxy)aniline
CID 104646773
5-(3-methoxypropoxy)-2-propan-2-ylpyridine
CID 58448811

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate?
The IUPAC name of 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate (CID 174581695) is 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate.
What is the SMILES notation for 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate?
The canonical SMILES for 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate is COCCCOc1cc(N)c2[nH]cc(C(C)OC=O)c2c1.
What is the InChIKey of 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate?
The InChIKey is BQTUFJYOOGMSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(21-9-18)13-8-17-15-12(13)6-11(7-14(15)16)20-5-3-4-19-2/h6-10,17H,3-5,16H2,1-2H3.
What are the key properties of 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate?
1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate has a molecular weight of 292.34 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-5-(3-methoxypropoxy)-1H-indol-3-yl]ethyl formate is sourced from PubChem (CID 174581695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).