N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine

C19H22N2 — CID 60942193

IUPACN-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1cc(NC2Cc3ccccc3C2)cc(N2CCCC2)c1
InChIInChI=1S/C19H22N2/c1-2-7-16-13-18(12-15(16)6-1)20-17-8-5-9-19(14-17)21-10-3-4-11-21/h1-2,5-9,14,18,20H,3-4,10-13H2
InChIKeyVYJGDFXAGDOWBX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.87
Rot. Bonds3

About N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine

N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 60942193) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID60942193
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1cc(NC2Cc3ccccc3C2)cc(N2CCCC2)c1
InChIInChI=1S/C19H22N2/c1-2-7-16-13-18(12-15(16)6-1)20-17-8-5-9-19(14-17)21-10-3-4-11-21/h1-2,5-9,14,18,20H,3-4,10-13H2
InChIKeyVYJGDFXAGDOWBX-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine (CID 60942193) is N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine is c1cc(NC2Cc3ccccc3C2)cc(N2CCCC2)c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VYJGDFXAGDOWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-7-16-13-18(12-15(16)6-1)20-17-8-5-9-19(14-17)21-10-3-4-11-21/h1-2,5-9,14,18,20H,3-4,10-13H2.
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 60942193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).