3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol

C29H31NOP2 — CID 101203232

IUPAC3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
SMILESOCCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NOP2/c31-23-13-22-30(24-32(26-14-5-1-6-15-26)27-16-7-2-8-17-27)25-33(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,31H,13,22-25H2
InChIKeyCSGKQPXDVCHUMJ-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.85
Rot. Bonds11

About 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol

3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol (PubChem CID 101203232) has the molecular formula C29H31NOP2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
PubChem CID101203232
Molecular FormulaC29H31NOP2
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol
SMILESOCCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NOP2/c31-23-13-22-30(24-32(26-14-5-1-6-15-26)27-16-7-2-8-17-27)25-33(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,31H,13,22-25H2
InChIKeyCSGKQPXDVCHUMJ-UHFFFAOYSA-N
XLogP4.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;N',N'-bis(diphenylphosphanylmethyl)-N-(2-phosphonatoethyl)ethane-1,2-diamine
CID 10974092
3-bromopropan-1-ol;triphenylphosphane
CID 87481966
2-(N-iodoanilino)ethanol
CID 143001889
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112508
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
tris(diphenylphosphanylmethyl)azanium
CID 132563502
dichloronickel;bis(2-diphenylphosphanylethanol);hydrate
CID 23730976
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643
[3-[bis(diphenylphosphanylmethyl)amino]phenyl]methanol
CID 11432367
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936

Frequently Asked Questions

What is the IUPAC name of 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol (CID 101203232) is 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol is OCCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol?
The InChIKey is CSGKQPXDVCHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NOP2/c31-23-13-22-30(24-32(26-14-5-1-6-15-26)27-16-7-2-8-17-27)25-33(28-18-9-3-10-19-28)29-20-11-4-12-21-29/h1-12,14-21,31H,13,22-25H2.
What are the key properties of 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol?
3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol has a molecular weight of 471.52 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(diphenylphosphanylmethyl)amino]propan-1-ol is sourced from PubChem (CID 101203232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).