N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine

C16H24N2O — CID 46704016

IUPACN-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc2c(ccn2CN(C(C)C)C(C)C)c1
InChIInChI=1S/C16H24N2O/c1-12(2)18(13(3)4)11-17-9-8-14-10-15(19-5)6-7-16(14)17/h6-10,12-13H,11H2,1-5H3
InChIKeyQAMFVPDECMVHFP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.73
Rot. Bonds5

About N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 46704016) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID46704016
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc2c(ccn2CN(C(C)C)C(C)C)c1
InChIInChI=1S/C16H24N2O/c1-12(2)18(13(3)4)11-17-9-8-14-10-15(19-5)6-7-16(14)17/h6-10,12-13H,11H2,1-5H3
InChIKeyQAMFVPDECMVHFP-UHFFFAOYSA-N
XLogP3.73
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762111
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
(2R)-2-deuterio-1-(5-methoxyindol-1-yl)-N,N-dimethylpropan-2-amine
CID 168762038
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
1-(5-methoxyindol-1-yl)propan-2-yl methanesulfonate
CID 10684389
5-methoxy-1-prop-2-ynylindole
CID 45091362
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
CID 62564592
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
[1,1,1,2,3,3-hexadeuterio-3-(5-methoxyindol-1-yl)propan-2-yl] methanesulfonate
CID 168762129
5-methoxy-1-(4-methylpentan-2-yl)indole
CID 102339927
CID 174065240
CID 174065240

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 46704016) is N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine is COc1ccc2c(ccn2CN(C(C)C)C(C)C)c1.
What is the InChIKey of N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is QAMFVPDECMVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18(13(3)4)11-17-9-8-14-10-15(19-5)6-7-16(14)17/h6-10,12-13H,11H2,1-5H3.
What are the key properties of N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 46704016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).