2-methoxy-4-phosphanylbutan-1-amine

C5H14NOP — CID 87619461

IUPAC2-methoxy-4-phosphanylbutan-1-amine
SMILESCOC(CN)CCP
InChIInChI=1S/C5H14NOP/c1-7-5(4-6)2-3-8/h5H,2-4,6,8H2,1H3
InChIKeyUAQYLIHXKVILHE-UHFFFAOYSA-N
MW135.15 g/mol
LogP0.23
Rot. Bonds4

About 2-methoxy-4-phosphanylbutan-1-amine

2-methoxy-4-phosphanylbutan-1-amine (PubChem CID 87619461) has the molecular formula C5H14NOP and a molecular weight of 135.15 g/mol. Its IUPAC name is 2-methoxy-4-phosphanylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-phosphanylbutan-1-amine
PubChem CID87619461
Molecular FormulaC5H14NOP
Molecular Weight135.15 g/mol
Exact Mass135.08
IUPAC Name2-methoxy-4-phosphanylbutan-1-amine
SMILESCOC(CN)CCP
InChIInChI=1S/C5H14NOP/c1-7-5(4-6)2-3-8/h5H,2-4,6,8H2,1H3
InChIKeyUAQYLIHXKVILHE-UHFFFAOYSA-N
XLogP0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-phosphanylbutan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phosphanylbutan-1-amine?
The IUPAC name of 2-methoxy-4-phosphanylbutan-1-amine (CID 87619461) is 2-methoxy-4-phosphanylbutan-1-amine.
What is the SMILES notation for 2-methoxy-4-phosphanylbutan-1-amine?
The canonical SMILES for 2-methoxy-4-phosphanylbutan-1-amine is COC(CN)CCP.
What is the InChIKey of 2-methoxy-4-phosphanylbutan-1-amine?
The InChIKey is UAQYLIHXKVILHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NOP/c1-7-5(4-6)2-3-8/h5H,2-4,6,8H2,1H3.
What are the key properties of 2-methoxy-4-phosphanylbutan-1-amine?
2-methoxy-4-phosphanylbutan-1-amine has a molecular weight of 135.15 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phosphanylbutan-1-amine is sourced from PubChem (CID 87619461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).