2-benzyl-5-methyl-2,3-dihydroindol-1-amine

C16H18N2 — CID 145489465

IUPAC2-benzyl-5-methyl-2,3-dihydroindol-1-amine
SMILESCc1ccc2c(c1)CC(Cc1ccccc1)N2N
InChIInChI=1S/C16H18N2/c1-12-7-8-16-14(9-12)11-15(18(16)17)10-13-5-3-2-4-6-13/h2-9,15H,10-11,17H2,1H3
InChIKeyHGCVOPYKLMBRGE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.84
Rot. Bonds2

About 2-benzyl-5-methyl-2,3-dihydroindol-1-amine

2-benzyl-5-methyl-2,3-dihydroindol-1-amine (PubChem CID 145489465) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-benzyl-5-methyl-2,3-dihydroindol-1-amine.

Molecular Properties

Compound Name2-benzyl-5-methyl-2,3-dihydroindol-1-amine
PubChem CID145489465
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-benzyl-5-methyl-2,3-dihydroindol-1-amine
SMILESCc1ccc2c(c1)CC(Cc1ccccc1)N2N
InChIInChI=1S/C16H18N2/c1-12-7-8-16-14(9-12)11-15(18(16)17)10-13-5-3-2-4-6-13/h2-9,15H,10-11,17H2,1H3
InChIKeyHGCVOPYKLMBRGE-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-2,3-dihydroindol-1-amine?
The IUPAC name of 2-benzyl-5-methyl-2,3-dihydroindol-1-amine (CID 145489465) is 2-benzyl-5-methyl-2,3-dihydroindol-1-amine.
What is the SMILES notation for 2-benzyl-5-methyl-2,3-dihydroindol-1-amine?
The canonical SMILES for 2-benzyl-5-methyl-2,3-dihydroindol-1-amine is Cc1ccc2c(c1)CC(Cc1ccccc1)N2N.
What is the InChIKey of 2-benzyl-5-methyl-2,3-dihydroindol-1-amine?
The InChIKey is HGCVOPYKLMBRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-7-8-16-14(9-12)11-15(18(16)17)10-13-5-3-2-4-6-13/h2-9,15H,10-11,17H2,1H3.
What are the key properties of 2-benzyl-5-methyl-2,3-dihydroindol-1-amine?
2-benzyl-5-methyl-2,3-dihydroindol-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-2,3-dihydroindol-1-amine is sourced from PubChem (CID 145489465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).