N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine

C17H26N2O — CID 106455380

IUPACN-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(CCOCC(C)C)c12
InChIInChI=1S/C17H26N2O/c1-4-18-12-16-7-5-6-15-8-9-19(17(15)16)10-11-20-13-14(2)3/h5-9,14,18H,4,10-13H2,1-3H3
InChIKeyHBBGMAAPFCXMTP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.42
Rot. Bonds8

About N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine

N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine (PubChem CID 106455380) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
PubChem CID106455380
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(CCOCC(C)C)c12
InChIInChI=1S/C17H26N2O/c1-4-18-12-16-7-5-6-15-8-9-19(17(15)16)10-11-20-13-14(2)3/h5-9,14,18H,4,10-13H2,1-3H3
InChIKeyHBBGMAAPFCXMTP-UHFFFAOYSA-N
XLogP3.42
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
CID 102914153
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
CID 66038082
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine (CID 106455380) is N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine is CCNCc1cccc2ccn(CCOCC(C)C)c12.
What is the InChIKey of N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine?
The InChIKey is HBBGMAAPFCXMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-18-12-16-7-5-6-15-8-9-19(17(15)16)10-11-20-13-14(2)3/h5-9,14,18H,4,10-13H2,1-3H3.
What are the key properties of N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine?
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 106455380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).