N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine

C24H28NOP — CID 11810941

IUPACN-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine
SMILESCc1ccccc1P(=O)(c1ccccc1)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C24H28NOP/c1-20-13-11-12-18-23(20)27(26,22-16-9-6-10-17-22)25(24(2,3)4)19-21-14-7-5-8-15-21/h5-18H,19H2,1-4H3
InChIKeyJVUQBUUDXSSXTB-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.52
Rot. Bonds5

About N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine

N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine (PubChem CID 11810941) has the molecular formula C24H28NOP and a molecular weight of 377.47 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine
PubChem CID11810941
Molecular FormulaC24H28NOP
Molecular Weight377.47 g/mol
Exact Mass377.19
IUPAC NameN-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine
SMILESCc1ccccc1P(=O)(c1ccccc1)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C24H28NOP/c1-20-13-11-12-18-23(20)27(26,22-16-9-6-10-17-22)25(24(2,3)4)19-21-14-7-5-8-15-21/h5-18H,19H2,1-4H3
InChIKeyJVUQBUUDXSSXTB-UHFFFAOYSA-N
XLogP5.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine?
The IUPAC name of N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine (CID 11810941) is N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine.
What is the SMILES notation for N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine?
The canonical SMILES for N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine is Cc1ccccc1P(=O)(c1ccccc1)N(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine?
The InChIKey is JVUQBUUDXSSXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NOP/c1-20-13-11-12-18-23(20)27(26,22-16-9-6-10-17-22)25(24(2,3)4)19-21-14-7-5-8-15-21/h5-18H,19H2,1-4H3.
What are the key properties of N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine?
N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine has a molecular weight of 377.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[(2-methylphenyl)-phenylphosphoryl]propan-2-amine is sourced from PubChem (CID 11810941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).