N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine

C3H8Cl2NP — CID 23280642

IUPACN-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(Cl)CCl
InChIInChI=1S/C3H8Cl2NP/c1-6(2)7(5)3-4/h3H2,1-2H3
InChIKeyQPLLUUAEBFAXGX-UHFFFAOYSA-N
MW159.98 g/mol
LogP2.30
Rot. Bonds2

About N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine

N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine (PubChem CID 23280642) has the molecular formula C3H8Cl2NP and a molecular weight of 159.98 g/mol. Its IUPAC name is N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine
PubChem CID23280642
Molecular FormulaC3H8Cl2NP
Molecular Weight159.98 g/mol
Exact Mass158.98
IUPAC NameN-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine
SMILESCN(C)P(Cl)CCl
InChIInChI=1S/C3H8Cl2NP/c1-6(2)7(5)3-4/h3H2,1-2H3
InChIKeyQPLLUUAEBFAXGX-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.98
LogP ≤ 52.30
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-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine (CID 23280642) is N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine is CN(C)P(Cl)CCl.
What is the InChIKey of N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine?
The InChIKey is QPLLUUAEBFAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2NP/c1-6(2)7(5)3-4/h3H2,1-2H3.
What are the key properties of N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine?
N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine has a molecular weight of 159.98 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(chloromethyl)phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 23280642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).