1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine

C14H22N2 — CID 117199608

IUPAC1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine
SMILESCCN1CC(CC(C)N)c2c(C)cccc21
InChIInChI=1S/C14H22N2/c1-4-16-9-12(8-11(3)15)14-10(2)6-5-7-13(14)16/h5-7,11-12H,4,8-9,15H2,1-3H3
InChIKeyGAJKXAKWQMHXDG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.66
Rot. Bonds3

About 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine

1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine (PubChem CID 117199608) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine
PubChem CID117199608
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine
SMILESCCN1CC(CC(C)N)c2c(C)cccc21
InChIInChI=1S/C14H22N2/c1-4-16-9-12(8-11(3)15)14-10(2)6-5-7-13(14)16/h5-7,11-12H,4,8-9,15H2,1-3H3
InChIKeyGAJKXAKWQMHXDG-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine (CID 117199608) is 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine is CCN1CC(CC(C)N)c2c(C)cccc21.
What is the InChIKey of 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine?
The InChIKey is GAJKXAKWQMHXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-16-9-12(8-11(3)15)14-10(2)6-5-7-13(14)16/h5-7,11-12H,4,8-9,15H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine?
1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine is sourced from PubChem (CID 117199608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).