3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one

C13H18N2O2 — CID 121204186

IUPAC3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOCc1cccc2c1CCN2C(=O)CCN
InChIInChI=1S/C13H18N2O2/c1-17-9-10-3-2-4-12-11(10)6-8-15(12)13(16)5-7-14/h2-4H,5-9,14H2,1H3
InChIKeyIKEFNFDKBVTZFO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds4

About 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one

3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 121204186) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID121204186
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCOCc1cccc2c1CCN2C(=O)CCN
InChIInChI=1S/C13H18N2O2/c1-17-9-10-3-2-4-12-11(10)6-8-15(12)13(16)5-7-14/h2-4H,5-9,14H2,1H3
InChIKeyIKEFNFDKBVTZFO-UHFFFAOYSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 129496154
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
2-amino-1-[5-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 18321799
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethoxyphenyl)propan-1-one
CID 30271420
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one (CID 121204186) is 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one is COCc1cccc2c1CCN2C(=O)CCN.
What is the InChIKey of 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is IKEFNFDKBVTZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-9-10-3-2-4-12-11(10)6-8-15(12)13(16)5-7-14/h2-4H,5-9,14H2,1H3.
What are the key properties of 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one?
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 121204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).