N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium

C16H15N2Y- — CID 59071358

IUPACN-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium
SMILESCNCc1[c-]c2ccccc2n1-c1ccccc1.[Y]
InChIInChI=1S/C16H15N2.Y/c1-17-12-15-11-13-7-5-6-10-16(13)18(15)14-8-3-2-4-9-14;/h2-10,17H,12H2,1H3;/q-1;
InChIKeyIODSRPMNOJTVAM-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.15
Rot. Bonds3

About N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium

N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium (PubChem CID 59071358) has the molecular formula C16H15N2Y- and a molecular weight of 324.22 g/mol. Its IUPAC name is N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium.

Molecular Properties

Compound NameN-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium
PubChem CID59071358
Molecular FormulaC16H15N2Y-
Molecular Weight324.22 g/mol
Exact Mass324.03
IUPAC NameN-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium
SMILESCNCc1[c-]c2ccccc2n1-c1ccccc1.[Y]
InChIInChI=1S/C16H15N2.Y/c1-17-12-15-11-13-7-5-6-10-16(13)18(15)14-8-3-2-4-9-14;/h2-10,17H,12H2,1H3;/q-1;
InChIKeyIODSRPMNOJTVAM-UHFFFAOYSA-N
XLogP3.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium?
The IUPAC name of N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium (CID 59071358) is N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium.
What is the SMILES notation for N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium?
The canonical SMILES for N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium is CNCc1[c-]c2ccccc2n1-c1ccccc1.[Y].
What is the InChIKey of N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium?
The InChIKey is IODSRPMNOJTVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2.Y/c1-17-12-15-11-13-7-5-6-10-16(13)18(15)14-8-3-2-4-9-14;/h2-10,17H,12H2,1H3;/q-1;.
What are the key properties of N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium?
N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium has a molecular weight of 324.22 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenyl-3H-indol-3-id-2-yl)methanamine;yttrium is sourced from PubChem (CID 59071358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).