bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium

C20H28N2O5P+ — CID 57050962

IUPACbis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium
SMILESCC(N)Cc1ccc(OCO[P+](=O)OCOc2ccc(CC(C)N)cc2)cc1
InChIInChI=1S/C20H28N2O5P/c1-15(21)11-17-3-7-19(8-4-17)24-13-26-28(23)27-14-25-20-9-5-18(6-10-20)12-16(2)22/h3-10,15-16H,11-14,21-22H2,1-2H3/q+1
InChIKeyKRGRTMOWVRIVBL-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.53
Rot. Bonds12

About bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium

bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium (PubChem CID 57050962) has the molecular formula C20H28N2O5P+ and a molecular weight of 407.43 g/mol. Its IUPAC name is bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium
PubChem CID57050962
Molecular FormulaC20H28N2O5P+
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Namebis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium
SMILESCC(N)Cc1ccc(OCO[P+](=O)OCOc2ccc(CC(C)N)cc2)cc1
InChIInChI=1S/C20H28N2O5P/c1-15(21)11-17-3-7-19(8-4-17)24-13-26-28(23)27-14-25-20-9-5-18(6-10-20)12-16(2)22/h3-10,15-16H,11-14,21-22H2,1-2H3/q+1
InChIKeyKRGRTMOWVRIVBL-UHFFFAOYSA-N
XLogP3.53
TPSA106.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
[4-(2-aminopropyl)phenyl] propanoate
CID 67868475
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
[4-[4-[(2R)-2-aminopropyl]phenyl]phenyl] propanoate
CID 91530877

Frequently Asked Questions

What is the IUPAC name of bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium?
The IUPAC name of bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium (CID 57050962) is bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium.
What is the SMILES notation for bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium?
The canonical SMILES for bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium is CC(N)Cc1ccc(OCO[P+](=O)OCOc2ccc(CC(C)N)cc2)cc1.
What is the InChIKey of bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium?
The InChIKey is KRGRTMOWVRIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5P/c1-15(21)11-17-3-7-19(8-4-17)24-13-26-28(23)27-14-25-20-9-5-18(6-10-20)12-16(2)22/h3-10,15-16H,11-14,21-22H2,1-2H3/q+1.
What are the key properties of bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium?
bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium has a molecular weight of 407.43 g/mol, XLogP of 3.53, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[4-(2-aminopropyl)phenoxy]methoxy]-oxophosphanium is sourced from PubChem (CID 57050962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).