2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine

C19H26NO4P — CID 135174025

IUPAC2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine
SMILESNCCOCP(OCCCOCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H26NO4P/c20-12-15-22-17-25(24-19-10-5-2-6-11-19)23-14-7-13-21-16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17,20H2
InChIKeyBKKPZLJYIHQXAK-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.93
Rot. Bonds13

About 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine

2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine (PubChem CID 135174025) has the molecular formula C19H26NO4P and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine
PubChem CID135174025
Molecular FormulaC19H26NO4P
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine
SMILESNCCOCP(OCCCOCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H26NO4P/c20-12-15-22-17-25(24-19-10-5-2-6-11-19)23-14-7-13-21-16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17,20H2
InChIKeyBKKPZLJYIHQXAK-UHFFFAOYSA-N
XLogP3.93
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
ethane;2-phenylmethoxyethanamine
CID 142016503
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825
3-[3-[3-[3-[3-[3-[3-[3-[3-[4-[2-[3-[3-(3-diphenoxyphosphanyloxypropoxy)propoxy]propoxy]ethoxy]butoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl diphenyl phosphite
CID 102006079
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[[[ethyl(methyl)amino]-phenoxyphosphanyl]methoxy]ethanamine
CID 146222837
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
3-(3-phenylmethoxypropoxy)propanenitrile
CID 170395256
butoxymethylbenzene;phenylmethanamine
CID 142079106
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746

Frequently Asked Questions

What is the IUPAC name of 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine?
The IUPAC name of 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine (CID 135174025) is 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine.
What is the SMILES notation for 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine?
The canonical SMILES for 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine is NCCOCP(OCCCOCc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine?
The InChIKey is BKKPZLJYIHQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO4P/c20-12-15-22-17-25(24-19-10-5-2-6-11-19)23-14-7-13-21-16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17,20H2.
What are the key properties of 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine?
2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine has a molecular weight of 363.39 g/mol, XLogP of 3.93, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine is sourced from PubChem (CID 135174025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).