1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine

C25H22N2 — CID 24868317

IUPAC1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2
InChIKeyPQFNWDHABGBCHB-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.16
Rot. Bonds6

About 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine

1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 24868317) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine
PubChem CID24868317
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine
SMILESc1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2
InChIKeyPQFNWDHABGBCHB-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine (CID 24868317) is 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine is c1ccc(C(NCc2cccnc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is PQFNWDHABGBCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2.
What are the key properties of 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine?
1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 350.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 24868317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).