(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine

C12H18N2O — CID 117199162

IUPAC(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
SMILESCCN1c2cccc(OC)c2CC1CN
InChIInChI=1S/C12H18N2O/c1-3-14-9(8-13)7-10-11(14)5-4-6-12(10)15-2/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyIWHVUCVFSHRTIV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds3

About (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine

(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine (PubChem CID 117199162) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
PubChem CID117199162
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
SMILESCCN1c2cccc(OC)c2CC1CN
InChIInChI=1S/C12H18N2O/c1-3-14-9(8-13)7-10-11(14)5-4-6-12(10)15-2/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyIWHVUCVFSHRTIV-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

2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
(1-ethyl-4-methyl-2,3-dihydroindol-2-yl)methanamine
CID 117198344
(4-chloro-1-ethyl-2,3-dihydroindol-2-yl)methanamine
CID 117198789
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199152
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133
(7-methoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
CID 83860757
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
1-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117199169

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine (CID 117199162) is (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine is CCN1c2cccc(OC)c2CC1CN.
What is the InChIKey of (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine?
The InChIKey is IWHVUCVFSHRTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-9(8-13)7-10-11(14)5-4-6-12(10)15-2/h4-6,9H,3,7-8,13H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine?
(1-ethyl-4-methoxy-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 (1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine is sourced from PubChem (CID 117199162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).