1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine

C12H18N2O — CID 84739877

IUPAC1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)CC(CN(C)C)N2
InChIInChI=1S/C12H18N2O/c1-14(2)8-10-6-9-7-11(15-3)4-5-12(9)13-10/h4-5,7,10,13H,6,8H2,1-3H3
InChIKeyVWWPRJBPAWJDGK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine

1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine (PubChem CID 84739877) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
PubChem CID84739877
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)CC(CN(C)C)N2
InChIInChI=1S/C12H18N2O/c1-14(2)8-10-6-9-7-11(15-3)4-5-12(9)13-10/h4-5,7,10,13H,6,8H2,1-3H3
InChIKeyVWWPRJBPAWJDGK-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
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-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
CID 105476247
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
5-methoxy-3-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 15254976
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
N-[[(2R,3R)-3-(4-chlorophenoxy)-6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 11711121
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
1-(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19982151
2-(2,4-dimethylphenyl)-5-methoxy-2,3-dihydro-1H-indole
CID 4046261

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine (CID 84739877) is 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine is COc1ccc2c(c1)CC(CN(C)C)N2.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is VWWPRJBPAWJDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)8-10-6-9-7-11(15-3)4-5-12(9)13-10/h4-5,7,10,13H,6,8H2,1-3H3.
What are the key properties of 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine?
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 84739877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).