N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine

C7H16ClN2O2P — CID 13381598

IUPACN-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(Cl)N1CCOCC1
InChIInChI=1S/C7H16ClN2O2P/c1-7(2)9-13(8,11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyWDPKZKJJSPLISG-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.66
Rot. Bonds3

About N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine

N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine (PubChem CID 13381598) has the molecular formula C7H16ClN2O2P and a molecular weight of 226.64 g/mol. Its IUPAC name is N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
PubChem CID13381598
Molecular FormulaC7H16ClN2O2P
Molecular Weight226.64 g/mol
Exact Mass226.06
IUPAC NameN-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(Cl)N1CCOCC1
InChIInChI=1S/C7H16ClN2O2P/c1-7(2)9-13(8,11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyWDPKZKJJSPLISG-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[chloro(morpholin-4-yl)phosphoryl]-1,3-oxazinane
CID 134893452
N-dimorpholin-4-ylphosphoryl-4-methylaniline
CID 139064039
dimorpholin-4-ylphosphinic acid
CID 4193589
4-[2,3-dimethylbutan-2-yl(methoxy)phosphoryl]morpholine
CID 163490188
2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
CID 2783560
N-(morpholin-4-ylmethyl)propan-2-amine
CID 59379058
2-chloro-N-(2-chloroethyl)-N-[methoxy(morpholin-4-yl)phosphoryl]ethanamine
CID 143387206
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954

Frequently Asked Questions

What is the IUPAC name of N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine?
The IUPAC name of N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine (CID 13381598) is N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine?
The canonical SMILES for N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine is CC(C)NP(=O)(Cl)N1CCOCC1.
What is the InChIKey of N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine?
The InChIKey is WDPKZKJJSPLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN2O2P/c1-7(2)9-13(8,11)10-3-5-12-6-4-10/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine?
N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine has a molecular weight of 226.64 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(morpholin-4-yl)phosphoryl]propan-2-amine is sourced from PubChem (CID 13381598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).