(7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine

C12H18N2O — CID 83860758

IUPAC(7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
SMILESCCOc1cccc2c1N(C)C(CN)C2
InChIInChI=1S/C12H18N2O/c1-3-15-11-6-4-5-9-7-10(8-13)14(2)12(9)11/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyULGGWJJAIJVUHE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds3

About (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine

(7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine (PubChem CID 83860758) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine.

Molecular Properties

Compound Name(7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
PubChem CID83860758
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
SMILESCCOc1cccc2c1N(C)C(CN)C2
InChIInChI=1S/C12H18N2O/c1-3-15-11-6-4-5-9-7-10(8-13)14(2)12(9)11/h4-6,10H,3,7-8,13H2,1-2H3
InChIKeyULGGWJJAIJVUHE-UHFFFAOYSA-N
XLogP1.40
TPSA38.49 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
CID 83860757
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 99981796
1-(2,6-diethoxyphenyl)pyrrole
CID 141150995
1-(2,6-diethoxyphenyl)piperidine
CID 12585905
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
(7-methoxy-1,4-dimethyl-2,3-dihydroindol-2-yl)methanamine
CID 83860766
[2-(6-ethoxypyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 66317903
5-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11790021
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
3-ethoxy-2-propan-2-ylaniline
CID 154678316
N-[1-(2-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 103779625

Frequently Asked Questions

What is the IUPAC name of (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine?
The IUPAC name of (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine (CID 83860758) is (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine.
What is the SMILES notation for (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine?
The canonical SMILES for (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine is CCOc1cccc2c1N(C)C(CN)C2.
What is the InChIKey of (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine?
The InChIKey is ULGGWJJAIJVUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-15-11-6-4-5-9-7-10(8-13)14(2)12(9)11/h4-6,10H,3,7-8,13H2,1-2H3.
What are the key properties of (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine?
(7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine is sourced from PubChem (CID 83860758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).