1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine

C13H20N2 — CID 117203434

IUPAC1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)C(C)CN2C
InChIInChI=1S/C13H20N2/c1-9-8-15(3)13-5-4-11(6-10(2)14)7-12(9)13/h4-5,7,9-10H,6,8,14H2,1-3H3
InChIKeyFFOKIXKJXULLTG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds2

About 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine

1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine (PubChem CID 117203434) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine
PubChem CID117203434
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)C(C)CN2C
InChIInChI=1S/C13H20N2/c1-9-8-15(3)13-5-4-11(6-10(2)14)7-12(9)13/h4-5,7,9-10H,6,8,14H2,1-3H3
InChIKeyFFOKIXKJXULLTG-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine (CID 117203434) is 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine is CC(N)Cc1ccc2c(c1)C(C)CN2C.
What is the InChIKey of 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine?
The InChIKey is FFOKIXKJXULLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-8-15(3)13-5-4-11(6-10(2)14)7-12(9)13/h4-5,7,9-10H,6,8,14H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine?
1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine is sourced from PubChem (CID 117203434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).