N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine

C20H28NOP — CID 156786608

IUPACN-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H28NOP/c1-15(2)21(16(3)4)23(22,19-11-7-17(5)8-12-19)20-13-9-18(6)10-14-20/h7-16H,1-6H3
InChIKeyYVHJJKDIIUSCOH-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.65
Rot. Bonds5

About N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine

N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine (PubChem CID 156786608) has the molecular formula C20H28NOP and a molecular weight of 329.42 g/mol. Its IUPAC name is N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine
PubChem CID156786608
Molecular FormulaC20H28NOP
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C20H28NOP/c1-15(2)21(16(3)4)23(22,19-11-7-17(5)8-12-19)20-13-9-18(6)10-14-20/h7-16H,1-6H3
InChIKeyYVHJJKDIIUSCOH-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.65
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-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine (CID 156786608) is N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine is Cc1ccc(P(=O)(c2ccc(C)cc2)N(C(C)C)C(C)C)cc1.
What is the InChIKey of N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine?
The InChIKey is YVHJJKDIIUSCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NOP/c1-15(2)21(16(3)4)23(22,19-11-7-17(5)8-12-19)20-13-9-18(6)10-14-20/h7-16H,1-6H3.
What are the key properties of N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine?
N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine has a molecular weight of 329.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 156786608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).