N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine

C13H20NOP — CID 134318031

IUPACN-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine
SMILESC=CP(NCCCc1ccccc1)OCC
InChIInChI=1S/C13H20NOP/c1-3-15-16(4-2)14-12-8-11-13-9-6-5-7-10-13/h4-7,9-10,14H,2-3,8,11-12H2,1H3
InChIKeyHLEGUYMIGOQCDU-UHFFFAOYSA-N
MW237.28 g/mol
LogP3.70
Rot. Bonds8

About N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine

N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine (PubChem CID 134318031) has the molecular formula C13H20NOP and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine
PubChem CID134318031
Molecular FormulaC13H20NOP
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine
SMILESC=CP(NCCCc1ccccc1)OCC
InChIInChI=1S/C13H20NOP/c1-3-15-16(4-2)14-12-8-11-13-9-6-5-7-10-13/h4-7,9-10,14H,2-3,8,11-12H2,1H3
InChIKeyHLEGUYMIGOQCDU-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine (CID 134318031) is N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine is C=CP(NCCCc1ccccc1)OCC.
What is the InChIKey of N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine?
The InChIKey is HLEGUYMIGOQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NOP/c1-3-15-16(4-2)14-12-8-11-13-9-6-5-7-10-13/h4-7,9-10,14H,2-3,8,11-12H2,1H3.
What are the key properties of N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine?
N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine has a molecular weight of 237.28 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl(ethoxy)phosphanyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 134318031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).