[benzhydryl(cyclooctyl)amino]phosphonous acid

C21H28NO2P — CID 118941449

IUPAC[benzhydryl(cyclooctyl)amino]phosphonous acid
SMILESOP(O)N(C1CCCCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO2P/c23-25(24)22(20-16-10-2-1-3-11-17-20)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21,23-24H,1-3,10-11,16-17H2
InChIKeyYQUSLCQZPANQPC-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.40
Rot. Bonds5

About [benzhydryl(cyclooctyl)amino]phosphonous acid

[benzhydryl(cyclooctyl)amino]phosphonous acid (PubChem CID 118941449) has the molecular formula C21H28NO2P and a molecular weight of 357.43 g/mol. Its IUPAC name is [benzhydryl(cyclooctyl)amino]phosphonous acid.

Molecular Properties

Compound Name[benzhydryl(cyclooctyl)amino]phosphonous acid
PubChem CID118941449
Molecular FormulaC21H28NO2P
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[benzhydryl(cyclooctyl)amino]phosphonous acid
SMILESOP(O)N(C1CCCCCCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO2P/c23-25(24)22(20-16-10-2-1-3-11-17-20)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21,23-24H,1-3,10-11,16-17H2
InChIKeyYQUSLCQZPANQPC-UHFFFAOYSA-N
XLogP5.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzhydrylcyclohexanamine
CID 139723956
N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine
CID 123211642
N-benzhydryl-N-dibutoxyphosphanylcyclopentanamine
CID 123456250
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
4-(dicyclohexylamino)-1-phenylbut-2-yn-1-ol
CID 101372468
(R)-cycloheptyl(phenyl)methanol
CID 94502427
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
N-cyclopentyl-N-[(dicyclopentylamino)-phenylsilyl]cyclopentanamine
CID 123155906
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
CID 70600717

Frequently Asked Questions

What is the IUPAC name of [benzhydryl(cyclooctyl)amino]phosphonous acid?
The IUPAC name of [benzhydryl(cyclooctyl)amino]phosphonous acid (CID 118941449) is [benzhydryl(cyclooctyl)amino]phosphonous acid.
What is the SMILES notation for [benzhydryl(cyclooctyl)amino]phosphonous acid?
The canonical SMILES for [benzhydryl(cyclooctyl)amino]phosphonous acid is OP(O)N(C1CCCCCCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [benzhydryl(cyclooctyl)amino]phosphonous acid?
The InChIKey is YQUSLCQZPANQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28NO2P/c23-25(24)22(20-16-10-2-1-3-11-17-20)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21,23-24H,1-3,10-11,16-17H2.
What are the key properties of [benzhydryl(cyclooctyl)amino]phosphonous acid?
[benzhydryl(cyclooctyl)amino]phosphonous acid has a molecular weight of 357.43 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [benzhydryl(cyclooctyl)amino]phosphonous acid is sourced from PubChem (CID 118941449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).