1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine

C12H18N2O — CID 83860271

IUPAC1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
SMILESCCOc1ccc2c(c1)C(CNC)CN2
InChIInChI=1S/C12H18N2O/c1-3-15-10-4-5-12-11(6-10)9(7-13-2)8-14-12/h4-6,9,13-14H,3,7-8H2,1-2H3
InChIKeyGKUUYSNZHWTATA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.81
Rot. Bonds4

About 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine

1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine (PubChem CID 83860271) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
PubChem CID83860271
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
SMILESCCOc1ccc2c(c1)C(CNC)CN2
InChIInChI=1S/C12H18N2O/c1-3-15-10-4-5-12-11(6-10)9(7-13-2)8-14-12/h4-6,9,13-14H,3,7-8H2,1-2H3
InChIKeyGKUUYSNZHWTATA-UHFFFAOYSA-N
XLogP1.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277205
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
N-methyl-1-(3-propyl-2,3-dihydro-1H-indol-5-yl)methanamine
CID 83960289
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
CID 55184388
5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 114991944
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 156715163
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine (CID 83860271) is 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine is CCOc1ccc2c(c1)C(CNC)CN2.
What is the InChIKey of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine?
The InChIKey is GKUUYSNZHWTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-15-10-4-5-12-11(6-10)9(7-13-2)8-14-12/h4-6,9,13-14H,3,7-8H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine?
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83860271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).