N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine

C7H17ClNOP — CID 15263913

IUPACN-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(Cl)C(C)C
InChIInChI=1S/C7H17ClNOP/c1-5-9(6-2)11(8,10)7(3)4/h7H,5-6H2,1-4H3
InChIKeyBCRWWDUABWVEOU-UHFFFAOYSA-N
MW197.65 g/mol
LogP3.17
Rot. Bonds4

About N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine

N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine (PubChem CID 15263913) has the molecular formula C7H17ClNOP and a molecular weight of 197.65 g/mol. Its IUPAC name is N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine
PubChem CID15263913
Molecular FormulaC7H17ClNOP
Molecular Weight197.65 g/mol
Exact Mass197.07
IUPAC NameN-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine
SMILESCCN(CC)P(=O)(Cl)C(C)C
InChIInChI=1S/C7H17ClNOP/c1-5-9(6-2)11(8,10)7(3)4/h7H,5-6H2,1-4H3
InChIKeyBCRWWDUABWVEOU-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine?
The IUPAC name of N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine (CID 15263913) is N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine?
The canonical SMILES for N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine is CCN(CC)P(=O)(Cl)C(C)C.
What is the InChIKey of N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine?
The InChIKey is BCRWWDUABWVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClNOP/c1-5-9(6-2)11(8,10)7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine?
N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine has a molecular weight of 197.65 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(propan-2-yl)phosphoryl]-N-ethylethanamine is sourced from PubChem (CID 15263913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).