(5S)-1-benzyl-4,5-dihydroindol-5-amine

C15H16N2 — CID 124673144

IUPAC(5S)-1-benzyl-4,5-dihydroindol-5-amine
SMILESN[C@@H]1C=Cc2c(ccn2Cc2ccccc2)C1
InChIInChI=1S/C15H16N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-9,14H,10-11,16H2/t14-/m1/s1
InChIKeyRPEFHEQMWFCSCX-CQSZACIVSA-N
MW224.31 g/mol
LogP2.43
Rot. Bonds2

About (5S)-1-benzyl-4,5-dihydroindol-5-amine

(5S)-1-benzyl-4,5-dihydroindol-5-amine (PubChem CID 124673144) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (5S)-1-benzyl-4,5-dihydroindol-5-amine.

Molecular Properties

Compound Name(5S)-1-benzyl-4,5-dihydroindol-5-amine
PubChem CID124673144
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name(5S)-1-benzyl-4,5-dihydroindol-5-amine
SMILESN[C@@H]1C=Cc2c(ccn2Cc2ccccc2)C1
InChIInChI=1S/C15H16N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-9,14H,10-11,16H2/t14-/m1/s1
InChIKeyRPEFHEQMWFCSCX-CQSZACIVSA-N
XLogP2.43
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139840264
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(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
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1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine
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Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-4,5-dihydroindol-5-amine?
The IUPAC name of (5S)-1-benzyl-4,5-dihydroindol-5-amine (CID 124673144) is (5S)-1-benzyl-4,5-dihydroindol-5-amine.
What is the SMILES notation for (5S)-1-benzyl-4,5-dihydroindol-5-amine?
The canonical SMILES for (5S)-1-benzyl-4,5-dihydroindol-5-amine is N[C@@H]1C=Cc2c(ccn2Cc2ccccc2)C1.
What is the InChIKey of (5S)-1-benzyl-4,5-dihydroindol-5-amine?
The InChIKey is RPEFHEQMWFCSCX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-9,14H,10-11,16H2/t14-/m1/s1.
What are the key properties of (5S)-1-benzyl-4,5-dihydroindol-5-amine?
(5S)-1-benzyl-4,5-dihydroindol-5-amine has a molecular weight of 224.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-4,5-dihydroindol-5-amine is sourced from PubChem (CID 124673144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).