1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C18H22N2O — CID 102661581

IUPAC1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCOc1cccc(CN2CCc3cc(C(C)N)ccc32)c1
InChIInChI=1S/C18H22N2O/c1-13(19)15-6-7-18-16(11-15)8-9-20(18)12-14-4-3-5-17(10-14)21-2/h3-7,10-11,13H,8-9,12,19H2,1-2H3
InChIKeyNBQWRRFKGBFICK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds4

About 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine

1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661581) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661581
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCOc1cccc(CN2CCc3cc(C(C)N)ccc32)c1
InChIInChI=1S/C18H22N2O/c1-13(19)15-6-7-18-16(11-15)8-9-20(18)12-14-4-3-5-17(10-14)21-2/h3-7,10-11,13H,8-9,12,19H2,1-2H3
InChIKeyNBQWRRFKGBFICK-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-1-[1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethyl]urea
CID 19433107
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
1-hydroxy-1-[4-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]butan-2-yl]urea
CID 19433112
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661495
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
1-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100409
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661459
1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040763
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102880183

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 102661581) is 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is COc1cccc(CN2CCc3cc(C(C)N)ccc32)c1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is NBQWRRFKGBFICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(19)15-6-7-18-16(11-15)8-9-20(18)12-14-4-3-5-17(10-14)21-2/h3-7,10-11,13H,8-9,12,19H2,1-2H3.
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).