N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine

C6H16ClN2OP — CID 122163916

IUPACN-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(CCCl)N(C)C
InChIInChI=1S/C6H16ClN2OP/c1-8(2)11(10,6-5-7)9(3)4/h5-6H2,1-4H3
InChIKeyGAHWSEPKTMGQFF-UHFFFAOYSA-N
MW198.63 g/mol
LogP1.54
Rot. Bonds4

About N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine

N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 122163916) has the molecular formula C6H16ClN2OP and a molecular weight of 198.63 g/mol. Its IUPAC name is N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID122163916
Molecular FormulaC6H16ClN2OP
Molecular Weight198.63 g/mol
Exact Mass198.07
IUPAC NameN-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(CCCl)N(C)C
InChIInChI=1S/C6H16ClN2OP/c1-8(2)11(10,6-5-7)9(3)4/h5-6H2,1-4H3
InChIKeyGAHWSEPKTMGQFF-UHFFFAOYSA-N
XLogP1.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine (CID 122163916) is N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine is CN(C)P(=O)(CCCl)N(C)C.
What is the InChIKey of N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is GAHWSEPKTMGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16ClN2OP/c1-8(2)11(10,6-5-7)9(3)4/h5-6H2,1-4H3.
What are the key properties of N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine?
N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 198.63 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 122163916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).