N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine

C16H20NO2P — CID 23413425

IUPACN,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine
SMILESCc1ccc(P(=O)(CN(C)C)Oc2ccccc2)cc1
InChIInChI=1S/C16H20NO2P/c1-14-9-11-16(12-10-14)20(18,13-17(2)3)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKeyZLDVHDNAXGVKHJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.50
Rot. Bonds5

About N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine

N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine (PubChem CID 23413425) has the molecular formula C16H20NO2P and a molecular weight of 289.31 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine
PubChem CID23413425
Molecular FormulaC16H20NO2P
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine
SMILESCc1ccc(P(=O)(CN(C)C)Oc2ccccc2)cc1
InChIInChI=1S/C16H20NO2P/c1-14-9-11-16(12-10-14)20(18,13-17(2)3)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKeyZLDVHDNAXGVKHJ-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine (CID 23413425) is N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine is Cc1ccc(P(=O)(CN(C)C)Oc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine?
The InChIKey is ZLDVHDNAXGVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO2P/c1-14-9-11-16(12-10-14)20(18,13-17(2)3)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine?
N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine has a molecular weight of 289.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine is sourced from PubChem (CID 23413425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).