1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine

C15H17N — CID 101074091

IUPAC1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine
SMILES[2H]CNCc1ccccc1-c1ccccc1C
InChIInChI=1S/C15H17N/c1-12-7-3-5-9-14(12)15-10-6-4-8-13(15)11-16-2/h3-10,16H,11H2,1-2H3/i2D
InChIKeyGHPOYDBUDXWVSM-VMNATFBRSA-N
MW212.31 g/mol
LogP3.38
Rot. Bonds4

About 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine

1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine (PubChem CID 101074091) has the molecular formula C15H17N and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine
PubChem CID101074091
Molecular FormulaC15H17N
Molecular Weight212.31 g/mol
Exact Mass212.14
IUPAC Name1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine
SMILES[2H]CNCc1ccccc1-c1ccccc1C
InChIInChI=1S/C15H17N/c1-12-7-3-5-9-14(12)15-10-6-4-8-13(15)11-16-2/h3-10,16H,11H2,1-2H3/i2D
InChIKeyGHPOYDBUDXWVSM-VMNATFBRSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine?
The IUPAC name of 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine (CID 101074091) is 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine is [2H]CNCc1ccccc1-c1ccccc1C.
What is the InChIKey of 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine?
The InChIKey is GHPOYDBUDXWVSM-VMNATFBRSA-N. The full InChI is InChI=1S/C15H17N/c1-12-7-3-5-9-14(12)15-10-6-4-8-13(15)11-16-2/h3-10,16H,11H2,1-2H3/i2D.
What are the key properties of 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine?
1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine has a molecular weight of 212.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-N-[[2-(2-methylphenyl)phenyl]methyl]methanamine is sourced from PubChem (CID 101074091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).