chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride

C15H21Cl3CrNP — CID 175534500

IUPACchromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
SMILESCC(C)NP(c1ccccc1)c1ccccc1.Cl.Cl.Cl.[Cr]
InChIInChI=1S/C15H18NP.3ClH.Cr/c1-13(2)16-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;;/h3-13,16H,1-2H3;3*1H;
InChIKeyOPQBMWRQBFKHMV-UHFFFAOYSA-N
MW404.67 g/mol
LogP4.30
Rot. Bonds4

About chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride

chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride (PubChem CID 175534500) has the molecular formula C15H21Cl3CrNP and a molecular weight of 404.67 g/mol. Its IUPAC name is chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride.

Molecular Properties

Compound Namechromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
PubChem CID175534500
Molecular FormulaC15H21Cl3CrNP
Molecular Weight404.67 g/mol
Exact Mass402.99
IUPAC Namechromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
SMILESCC(C)NP(c1ccccc1)c1ccccc1.Cl.Cl.Cl.[Cr]
InChIInChI=1S/C15H18NP.3ClH.Cr/c1-13(2)16-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;;/h3-13,16H,1-2H3;3*1H;
InChIKeyOPQBMWRQBFKHMV-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphanylmethanamine
CID 11365917
(1R)-1-phenyl-N-[phenyl-[[(1R)-1-phenylethyl]amino]phosphanyl]ethanamine
CID 102382785
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
trimethyl-[phenyl-[phenyl(trimethylphosphaniumyl)phosphanyl]phosphanyl]phosphanium
CID 139118371
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1,3-bis(diphenylphosphanyl)thiourea
CID 11189990
N,N'-bis(diphenylphosphanyl)-1,2-dipyridin-2-ylethane-1,2-diamine
CID 102285685
N-(2,6-dimethylphenyl)-N'-diphenylphosphanyl-1-phenylmethanediamine
CID 129290835
N-methyl-N'-[phenyl-(propan-2-ylamino)phosphanyl]-N'-propan-2-ylmethanediamine
CID 130232625
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride?
The IUPAC name of chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride (CID 175534500) is chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride.
What is the SMILES notation for chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride?
The canonical SMILES for chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride is CC(C)NP(c1ccccc1)c1ccccc1.Cl.Cl.Cl.[Cr].
What is the InChIKey of chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride?
The InChIKey is OPQBMWRQBFKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NP.3ClH.Cr/c1-13(2)16-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;;;;/h3-13,16H,1-2H3;3*1H;.
What are the key properties of chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride?
chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride has a molecular weight of 404.67 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride is sourced from PubChem (CID 175534500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).