N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine

C10H16ClN2O2P — CID 24808838

IUPACN-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(Oc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C10H16ClN2O2P/c1-12(2)16(14,13(3)4)15-10-7-5-9(11)6-8-10/h5-8H,1-4H3
InChIKeyOWNTYXRYGTVNMX-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine

N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 24808838) has the molecular formula C10H16ClN2O2P and a molecular weight of 262.68 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID24808838
Molecular FormulaC10H16ClN2O2P
Molecular Weight262.68 g/mol
Exact Mass262.06
IUPAC NameN-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(Oc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C10H16ClN2O2P/c1-12(2)16(14,13(3)4)15-10-7-5-9(11)6-8-10/h5-8H,1-4H3
InChIKeyOWNTYXRYGTVNMX-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine (CID 24808838) is N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine is CN(C)P(=O)(Oc1ccc(Cl)cc1)N(C)C.
What is the InChIKey of N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is OWNTYXRYGTVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN2O2P/c1-12(2)16(14,13(3)4)15-10-7-5-9(11)6-8-10/h5-8H,1-4H3.
What are the key properties of N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 262.68 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 24808838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).