1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine

C18H22N2 — CID 115994813

IUPAC1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCc2ccccc21
InChIInChI=1S/C18H22N2/c1-3-16(19-2)15-9-5-7-11-18(15)20-13-12-14-8-4-6-10-17(14)20/h4-11,16,19H,3,12-13H2,1-2H3
InChIKeyVTODLTXFKJZJPI-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine

1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 115994813) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
PubChem CID115994813
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCc2ccccc21
InChIInChI=1S/C18H22N2/c1-3-16(19-2)15-9-5-7-11-18(15)20-13-12-14-8-4-6-10-17(14)20/h4-11,16,19H,3,12-13H2,1-2H3
InChIKeyVTODLTXFKJZJPI-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103959688
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490084
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818
2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 115995408
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
(1R)-1-[2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103498371
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
CID 115995318
2-[2-[1-(methylamino)ethyl]phenyl]-3,4-dihydroisoquinolin-1-one
CID 83091171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine (CID 115994813) is 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is VTODLTXFKJZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-16(19-2)15-9-5-7-11-18(15)20-13-12-14-8-4-6-10-17(14)20/h4-11,16,19H,3,12-13H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine?
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115994813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).