N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine

C19H20BrN — CID 43633283

IUPACN-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine
SMILESBrc1cccc(C2CC(Nc3ccc4c(c3)CCC4)C2)c1
InChIInChI=1S/C19H20BrN/c20-17-6-2-5-14(9-17)16-11-19(12-16)21-18-8-7-13-3-1-4-15(13)10-18/h2,5-10,16,19,21H,1,3-4,11-12H2
InChIKeyIOABENVIECYNCK-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.30
Rot. Bonds3

About N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine

N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 43633283) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID43633283
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC NameN-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine
SMILESBrc1cccc(C2CC(Nc3ccc4c(c3)CCC4)C2)c1
InChIInChI=1S/C19H20BrN/c20-17-6-2-5-14(9-17)16-11-19(12-16)21-18-8-7-13-3-1-4-15(13)10-18/h2,5-10,16,19,21H,1,3-4,11-12H2
InChIKeyIOABENVIECYNCK-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine (CID 43633283) is N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine is Brc1cccc(C2CC(Nc3ccc4c(c3)CCC4)C2)c1.
What is the InChIKey of N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is IOABENVIECYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN/c20-17-6-2-5-14(9-17)16-11-19(12-16)21-18-8-7-13-3-1-4-15(13)10-18/h2,5-10,16,19,21H,1,3-4,11-12H2.
What are the key properties of N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine?
N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 342.28 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)cyclobutyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 43633283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).