[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine

C18H22N2O — CID 43253614

IUPAC[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine
SMILESCC1Cc2ccccc2N1CCOc1cccc(CN)c1
InChIInChI=1S/C18H22N2O/c1-14-11-16-6-2-3-8-18(16)20(14)9-10-21-17-7-4-5-15(12-17)13-19/h2-8,12,14H,9-11,13,19H2,1H3
InChIKeyXYJSLHWCJDELCK-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.98
Rot. Bonds5

About [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine

[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine (PubChem CID 43253614) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine
PubChem CID43253614
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine
SMILESCC1Cc2ccccc2N1CCOc1cccc(CN)c1
InChIInChI=1S/C18H22N2O/c1-14-11-16-6-2-3-8-18(16)20(14)9-10-21-17-7-4-5-15(12-17)13-19/h2-8,12,14H,9-11,13,19H2,1H3
InChIKeyXYJSLHWCJDELCK-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
CID 43365585
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 36944261
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]benzoic acid
CID 20991558
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
[3-[3-(2,5-dimethylmorpholin-4-yl)propoxy]phenyl]methanamine
CID 43544254
2-[(3-methoxyphenyl)methoxy]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599675

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine (CID 43253614) is [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine is CC1Cc2ccccc2N1CCOc1cccc(CN)c1.
What is the InChIKey of [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is XYJSLHWCJDELCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-11-16-6-2-3-8-18(16)20(14)9-10-21-17-7-4-5-15(12-17)13-19/h2-8,12,14H,9-11,13,19H2,1H3.
What are the key properties of [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine?
[3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43253614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).