N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine

C19H27NO2P2 — CID 147294566

IUPACN-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine
SMILESCCOP(OCC)N(C(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NO2P2/c1-5-21-24(22-6-2)20(17(3)4)23(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,5-6H2,1-4H3
InChIKeyCUVXIYXJSKDKFZ-UHFFFAOYSA-N
MW363.38 g/mol
LogP5.04
Rot. Bonds9

About N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine

N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine (PubChem CID 147294566) has the molecular formula C19H27NO2P2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine.

Molecular Properties

Compound NameN-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine
PubChem CID147294566
Molecular FormulaC19H27NO2P2
Molecular Weight363.38 g/mol
Exact Mass363.15
IUPAC NameN-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine
SMILESCCOP(OCC)N(C(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H27NO2P2/c1-5-21-24(22-6-2)20(17(3)4)23(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,5-6H2,1-4H3
InChIKeyCUVXIYXJSKDKFZ-UHFFFAOYSA-N
XLogP5.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
ethane;ethoxy(phenyl)phosphinous acid
CID 145394359
sodium ethoxy(phenyl)phosphinite
CID 23703386
aluminum;N,N-bis(diphenylphosphanyl)propan-2-amine;carbon monoxide;chromium;tetrakis(1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate)
CID 16658255
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677
butoxy-ethoxy-phenylphosphane;ethane
CID 142525942
N-diphenylphosphanyl-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 122548842
ethoxy-hexoxy-phenylphosphane
CID 154163043
1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
CID 129083275
1-diphenylphosphanylethyl propanoate
CID 150036156

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine?
The IUPAC name of N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine (CID 147294566) is N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine.
What is the SMILES notation for N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine?
The canonical SMILES for N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine is CCOP(OCC)N(C(C)C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine?
The InChIKey is CUVXIYXJSKDKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2P2/c1-5-21-24(22-6-2)20(17(3)4)23(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,5-6H2,1-4H3.
What are the key properties of N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine?
N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine has a molecular weight of 363.38 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine is sourced from PubChem (CID 147294566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).