(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine

C33H32NO2P — CID 11762891

IUPAC(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C33H32NO2P/c1-27(29-17-8-3-9-18-29)34(25-28-15-6-2-7-16-28)32(33-23-14-24-36-33)26-37(35,30-19-10-4-11-20-30)31-21-12-5-13-22-31/h2-24,27,32H,25-26H2,1H3/t27-,32+/m1/s1
InChIKeyMUHSDOLKWLTVPC-ZUKKLESISA-N
MW505.60 g/mol
LogP7.60
Rot. Bonds10

About (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine

(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine (PubChem CID 11762891) has the molecular formula C33H32NO2P and a molecular weight of 505.60 g/mol. Its IUPAC name is (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine
PubChem CID11762891
Molecular FormulaC33H32NO2P
Molecular Weight505.60 g/mol
Exact Mass505.22
IUPAC Name(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine
SMILESC[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C33H32NO2P/c1-27(29-17-8-3-9-18-29)34(25-28-15-6-2-7-16-28)32(33-23-14-24-36-33)26-37(35,30-19-10-4-11-20-30)31-21-12-5-13-22-31/h2-24,27,32H,25-26H2,1H3/t27-,32+/m1/s1
InChIKeyMUHSDOLKWLTVPC-ZUKKLESISA-N
XLogP7.60
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.60
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine with MolForge

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Related Compounds

2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
CID 122375580
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
CID 101191721
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]-2-phenylacetaldehyde
CID 101191724
(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
CID 11559802
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
(4S)-4-[benzyl-[(1R)-1-phenylethyl]amino]-4-phenyl-1-trimethylsilyl-2-(trimethylsilylmethyl)butan-2-ol
CID 101252588
(3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(3-iodophenyl)propanoic acid
CID 135366817
(E,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-hydroxyhex-4-enoic acid
CID 72949507
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
methyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-oxo-3-phenylpropanoate
CID 11740922
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine?
The IUPAC name of (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine (CID 11762891) is (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine.
What is the SMILES notation for (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine?
The canonical SMILES for (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine is C[C@H](c1ccccc1)N(Cc1ccccc1)[C@@H](CP(=O)(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine?
The InChIKey is MUHSDOLKWLTVPC-ZUKKLESISA-N. The full InChI is InChI=1S/C33H32NO2P/c1-27(29-17-8-3-9-18-29)34(25-28-15-6-2-7-16-28)32(33-23-14-24-36-33)26-37(35,30-19-10-4-11-20-30)31-21-12-5-13-22-31/h2-24,27,32H,25-26H2,1H3/t27-,32+/m1/s1.
What are the key properties of (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine?
(1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine has a molecular weight of 505.60 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-2-diphenylphosphoryl-1-(furan-2-yl)-N-[(1R)-1-phenylethyl]ethanamine is sourced from PubChem (CID 11762891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).