N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine

C11H18ClN2O2P — CID 59360787

IUPACN-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCc1cc(Cl)ccc1OP(=O)(N(C)C)N(C)C
InChIInChI=1S/C11H18ClN2O2P/c1-9-8-10(12)6-7-11(9)16-17(15,13(2)3)14(4)5/h6-8H,1-5H3
InChIKeyUWFWNNGLLQHLBK-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine

N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 59360787) has the molecular formula C11H18ClN2O2P and a molecular weight of 276.70 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID59360787
Molecular FormulaC11H18ClN2O2P
Molecular Weight276.70 g/mol
Exact Mass276.08
IUPAC NameN-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCc1cc(Cl)ccc1OP(=O)(N(C)C)N(C)C
InChIInChI=1S/C11H18ClN2O2P/c1-9-8-10(12)6-7-11(9)16-17(15,13(2)3)14(4)5/h6-8H,1-5H3
InChIKeyUWFWNNGLLQHLBK-UHFFFAOYSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.26
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-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine (CID 59360787) is N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine is Cc1cc(Cl)ccc1OP(=O)(N(C)C)N(C)C.
What is the InChIKey of N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is UWFWNNGLLQHLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN2O2P/c1-9-8-10(12)6-7-11(9)16-17(15,13(2)3)14(4)5/h6-8H,1-5H3.
What are the key properties of N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine?
N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 276.70 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenoxy)-(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 59360787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).