N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine

C6H15ClNO2P — CID 23268991

IUPACN-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(CCl)OC
InChIInChI=1S/C6H15ClNO2P/c1-4-8(5-2)11(9,6-7)10-3/h4-6H2,1-3H3
InChIKeyLAXNSDSWDQNSSG-UHFFFAOYSA-N
MW199.62 g/mol
LogP2.36
Rot. Bonds5

About N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine

N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine (PubChem CID 23268991) has the molecular formula C6H15ClNO2P and a molecular weight of 199.62 g/mol. Its IUPAC name is N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine
PubChem CID23268991
Molecular FormulaC6H15ClNO2P
Molecular Weight199.62 g/mol
Exact Mass199.05
IUPAC NameN-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(CCl)OC
InChIInChI=1S/C6H15ClNO2P/c1-4-8(5-2)11(9,6-7)10-3/h4-6H2,1-3H3
InChIKeyLAXNSDSWDQNSSG-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
CID 170850878
4-chloro-N-[[[4-chlorobutyl(methyl)amino]-methoxyphosphoryl]methyl-methoxyphosphoryl]-N-methylbutan-1-amine
CID 54588652
N-diaminophosphoryl-N-ethylethanamine;dihydrochloride
CID 172846789
chloromethyl dimethyl phosphate
CID 88544336
N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine
CID 23417509
2-[bis(diethylamino)phosphoryl]acetaldehyde
CID 13249415
N-[diethylamino(ethylsulfanyl)phosphoryl]-N-ethylethanamine
CID 15093570
N-dipropoxyphosphoryl-N-ethylpropan-1-amine
CID 24741650
N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine
CID 2785390
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
diethyl 2-[bis(chloromethyl)phosphoryl]propanedioate
CID 23249261
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664

Frequently Asked Questions

What is the IUPAC name of N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine (CID 23268991) is N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine is CCN(CC)P(=O)(CCl)OC.
What is the InChIKey of N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine?
The InChIKey is LAXNSDSWDQNSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClNO2P/c1-4-8(5-2)11(9,6-7)10-3/h4-6H2,1-3H3.
What are the key properties of N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine?
N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine has a molecular weight of 199.62 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 23268991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).