N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine

C18H23N3 — CID 102661667

IUPACN-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2CCc1ccccn1
InChIInChI=1S/C18H23N3/c1-14(19-2)15-6-7-18-16(13-15)8-11-21(18)12-9-17-5-3-4-10-20-17/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3
InChIKeyBYKFPCCQPCUUFT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.97
Rot. Bonds5

About N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine

N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661667) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661667
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCN2CCc1ccccn1
InChIInChI=1S/C18H23N3/c1-14(19-2)15-6-7-18-16(13-15)8-11-21(18)12-9-17-5-3-4-10-20-17/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3
InChIKeyBYKFPCCQPCUUFT-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine (CID 102661667) is N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine is CNC(C)c1ccc2c(c1)CCN2CCc1ccccn1.
What is the InChIKey of N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is BYKFPCCQPCUUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(19-2)15-6-7-18-16(13-15)8-11-21(18)12-9-17-5-3-4-10-20-17/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine?
N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).