1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine

C18H20N2 — CID 82501498

IUPAC1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)n(C)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H20N2/c1-13-17(12-19-2)16-11-15(9-10-18(16)20(13)3)14-7-5-4-6-8-14/h4-11,19H,12H2,1-3H3
InChIKeyJDVYIDUWNCSUAD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.87
Rot. Bonds3

About 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine

1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine (PubChem CID 82501498) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine
PubChem CID82501498
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine
SMILESCNCc1c(C)n(C)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C18H20N2/c1-13-17(12-19-2)16-11-15(9-10-18(16)20(13)3)14-7-5-4-6-8-14/h4-11,19H,12H2,1-3H3
InChIKeyJDVYIDUWNCSUAD-UHFFFAOYSA-N
XLogP3.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine (CID 82501498) is 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine is CNCc1c(C)n(C)c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine?
The InChIKey is JDVYIDUWNCSUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-17(12-19-2)16-11-15(9-10-18(16)20(13)3)14-7-5-4-6-8-14/h4-11,19H,12H2,1-3H3.
What are the key properties of 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine?
1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine has a molecular weight of 264.37 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 1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 82501498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).