2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine

C9H19Cl2N2O3P — CID 143387206

IUPAC2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine
SMILESCOP(=O)(N(CCCl)CCCl)N1CCOCC1
InChIInChI=1S/C9H19Cl2N2O3P/c1-15-17(14,12(4-2-10)5-3-11)13-6-8-16-9-7-13/h2-9H2,1H3
InChIKeyFFGODCORVPOGAR-UHFFFAOYSA-N
MW305.14 g/mol
LogP1.85
Rot. Bonds7

About 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine

2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine (PubChem CID 143387206) has the molecular formula C9H19Cl2N2O3P and a molecular weight of 305.14 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine
PubChem CID143387206
Molecular FormulaC9H19Cl2N2O3P
Molecular Weight305.14 g/mol
Exact Mass304.05
IUPAC Name2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine
SMILESCOP(=O)(N(CCCl)CCCl)N1CCOCC1
InChIInChI=1S/C9H19Cl2N2O3P/c1-15-17(14,12(4-2-10)5-3-11)13-6-8-16-9-7-13/h2-9H2,1H3
InChIKeyFFGODCORVPOGAR-UHFFFAOYSA-N
XLogP1.85
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-chloroethyl)-N-[(2-methylpropan-2-yl)oxy-morpholin-4-ylphosphoryl]propan-1-amine
CID 58463751
4-[(4-methoxyphenoxy)-morpholin-4-ylphosphoryl]morpholine
CID 3693433
4-[2,3-dimethylbutan-2-yl(methoxy)phosphoryl]morpholine
CID 163490188
N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
CID 13381598
N-butyl-N-(2-chloroethyl)morpholine-4-sulfonamide
CID 63396894
dimorpholin-4-ylphosphinic acid
CID 4193589
(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
cyclohexyl-methoxy-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 590476
3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane
CID 134893452
4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine (CID 143387206) is 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine is COP(=O)(N(CCCl)CCCl)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine?
The InChIKey is FFGODCORVPOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl2N2O3P/c1-15-17(14,12(4-2-10)5-3-11)13-6-8-16-9-7-13/h2-9H2,1H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine?
2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine has a molecular weight of 305.14 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine is sourced from PubChem (CID 143387206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).