N-dimethylphosphoryl-1-phenylmethanamine

C9H14NOP — CID 163638802

IUPACN-dimethylphosphoryl-1-phenylmethanamine
SMILESCP(C)(=O)NCc1ccccc1
InChIInChI=1S/C9H14NOP/c1-12(2,11)10-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,10,11)
InChIKeyICLNZTVPZNOSNM-UHFFFAOYSA-N
MW183.19 g/mol
LogP2.31
Rot. Bonds3

About N-dimethylphosphoryl-1-phenylmethanamine

N-dimethylphosphoryl-1-phenylmethanamine (PubChem CID 163638802) has the molecular formula C9H14NOP and a molecular weight of 183.19 g/mol. Its IUPAC name is N-dimethylphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound NameN-dimethylphosphoryl-1-phenylmethanamine
PubChem CID163638802
Molecular FormulaC9H14NOP
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC NameN-dimethylphosphoryl-1-phenylmethanamine
SMILESCP(C)(=O)NCc1ccccc1
InChIInChI=1S/C9H14NOP/c1-12(2,11)10-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,10,11)
InChIKeyICLNZTVPZNOSNM-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-dimethylphosphoryl-1-phenylmethanamine?
The IUPAC name of N-dimethylphosphoryl-1-phenylmethanamine (CID 163638802) is N-dimethylphosphoryl-1-phenylmethanamine.
What is the SMILES notation for N-dimethylphosphoryl-1-phenylmethanamine?
The canonical SMILES for N-dimethylphosphoryl-1-phenylmethanamine is CP(C)(=O)NCc1ccccc1.
What is the InChIKey of N-dimethylphosphoryl-1-phenylmethanamine?
The InChIKey is ICLNZTVPZNOSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NOP/c1-12(2,11)10-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,10,11).
What are the key properties of N-dimethylphosphoryl-1-phenylmethanamine?
N-dimethylphosphoryl-1-phenylmethanamine has a molecular weight of 183.19 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 163638802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).