N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine

C12H19N2OP — CID 71427934

IUPACN-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
SMILESC=C(c1ccccc1)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C12H19N2OP/c1-11(12-9-7-6-8-10-12)16(15,13(2)3)14(4)5/h6-10H,1H2,2-5H3
InChIKeyMWCNPCCZKNINJL-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.97
Rot. Bonds4

About N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine

N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine (PubChem CID 71427934) has the molecular formula C12H19N2OP and a molecular weight of 238.27 g/mol. Its IUPAC name is N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
PubChem CID71427934
Molecular FormulaC12H19N2OP
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC NameN-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine
SMILESC=C(c1ccccc1)P(=O)(N(C)C)N(C)C
InChIInChI=1S/C12H19N2OP/c1-11(12-9-7-6-8-10-12)16(15,13(2)3)14(4)5/h6-10H,1H2,2-5H3
InChIKeyMWCNPCCZKNINJL-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.97
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-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine (CID 71427934) is N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine is C=C(c1ccccc1)P(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine?
The InChIKey is MWCNPCCZKNINJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2OP/c1-11(12-9-7-6-8-10-12)16(15,13(2)3)14(4)5/h6-10H,1H2,2-5H3.
What are the key properties of N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine?
N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine has a molecular weight of 238.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino(1-phenylethenyl)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 71427934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).