N-(1H-indol-3-yloxymethyl)-N-methylethanamine

C12H16N2O — CID 68875687

IUPACN-(1H-indol-3-yloxymethyl)-N-methylethanamine
SMILESCCN(C)COc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-3-14(2)9-15-12-8-13-11-7-5-4-6-10(11)12/h4-8,13H,3,9H2,1-2H3
InChIKeyOGSRFEKFUXXYSH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.46
Rot. Bonds4

About N-(1H-indol-3-yloxymethyl)-N-methylethanamine

N-(1H-indol-3-yloxymethyl)-N-methylethanamine (PubChem CID 68875687) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(1H-indol-3-yloxymethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1H-indol-3-yloxymethyl)-N-methylethanamine
PubChem CID68875687
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(1H-indol-3-yloxymethyl)-N-methylethanamine
SMILESCCN(C)COc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2O/c1-3-14(2)9-15-12-8-13-11-7-5-4-6-10(11)12/h4-8,13H,3,9H2,1-2H3
InChIKeyOGSRFEKFUXXYSH-UHFFFAOYSA-N
XLogP2.46
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-yloxymethanol
CID 169101748
2-(1H-indol-3-yloxy)ethyl-trimethylazanium
CID 173099162
3-methylperoxy-1H-indole
CID 21122990
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
CID 174586583
CID 174586583
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
3-(bromomethoxy)-1H-quinolin-4-one
CID 156738403
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 62642036
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yloxymethyl)-N-methylethanamine?
The IUPAC name of N-(1H-indol-3-yloxymethyl)-N-methylethanamine (CID 68875687) is N-(1H-indol-3-yloxymethyl)-N-methylethanamine.
What is the SMILES notation for N-(1H-indol-3-yloxymethyl)-N-methylethanamine?
The canonical SMILES for N-(1H-indol-3-yloxymethyl)-N-methylethanamine is CCN(C)COc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-yloxymethyl)-N-methylethanamine?
The InChIKey is OGSRFEKFUXXYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14(2)9-15-12-8-13-11-7-5-4-6-10(11)12/h4-8,13H,3,9H2,1-2H3.
What are the key properties of N-(1H-indol-3-yloxymethyl)-N-methylethanamine?
N-(1H-indol-3-yloxymethyl)-N-methylethanamine has a molecular weight of 204.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yloxymethyl)-N-methylethanamine is sourced from PubChem (CID 68875687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).