1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine

C16H24N2O — CID 102917957

IUPAC1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(CC(C)OC)c2c1
InChIInChI=1S/C16H24N2O/c1-4-15(17)9-13-5-6-14-7-8-18(16(14)10-13)11-12(2)19-3/h5-8,10,12,15H,4,9,11,17H2,1-3H3
InChIKeyAKRWLHRNERQMIB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.96
Rot. Bonds6

About 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine

1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine (PubChem CID 102917957) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
PubChem CID102917957
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(CC(C)OC)c2c1
InChIInChI=1S/C16H24N2O/c1-4-15(17)9-13-5-6-14-7-8-18(16(14)10-13)11-12(2)19-3/h5-8,10,12,15H,4,9,11,17H2,1-3H3
InChIKeyAKRWLHRNERQMIB-UHFFFAOYSA-N
XLogP2.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
CID 102918008
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
CID 107053885
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine (CID 102917957) is 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine is CCC(N)Cc1ccc2ccn(CC(C)OC)c2c1.
What is the InChIKey of 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine?
The InChIKey is AKRWLHRNERQMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-15(17)9-13-5-6-14-7-8-18(16(14)10-13)11-12(2)19-3/h5-8,10,12,15H,4,9,11,17H2,1-3H3.
What are the key properties of 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine?
1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine is sourced from PubChem (CID 102917957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).