(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine

C34H33N2O2P — CID 163522190

IUPAC(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
SMILESCOc1ccc(CN[C@H](c2ccccc2)[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33N2O2P/c1-38-30-24-22-27(23-25-30)26-35-33(28-14-6-2-7-15-28)34(29-16-8-3-9-17-29)36-39(37,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,33-35H,26H2,1H3,(H,36,37)/t33-,34-/m1/s1
InChIKeyDLUDVKPGQZDPFE-KKLWWLSJSA-N
MW532.62 g/mol
LogP6.79
Rot. Bonds11

About (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine

(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine (PubChem CID 163522190) has the molecular formula C34H33N2O2P and a molecular weight of 532.62 g/mol. Its IUPAC name is (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
PubChem CID163522190
Molecular FormulaC34H33N2O2P
Molecular Weight532.62 g/mol
Exact Mass532.23
IUPAC Name(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
SMILESCOc1ccc(CN[C@H](c2ccccc2)[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33N2O2P/c1-38-30-24-22-27(23-25-30)26-35-33(28-14-6-2-7-15-28)34(29-16-8-3-9-17-29)36-39(37,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,33-35H,26H2,1H3,(H,36,37)/t33-,34-/m1/s1
InChIKeyDLUDVKPGQZDPFE-KKLWWLSJSA-N
XLogP6.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 56.79
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

(1S)-N-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-amine
CID 101087200
N-(diphenylphosphorylmethyl)-1-(4-methoxyphenyl)methanamine
CID 10882664
(1R,2S)-N,N',N'-tribenzyl-2-dimethoxyphosphoryl-1-phenylethane-1,2-diamine
CID 11455079
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1S,3S)-3-N-diphenylphosphoryl-1-(4-methoxyphenyl)-4-phenylbutane-1,3-diamine
CID 100962675
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
(2S,4S)-N-diphenylphosphoryl-4-isocyano-4-(4-methoxyphenyl)-1-phenylbutan-2-amine
CID 100962663
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
N-[(4-methoxyphenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131857

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine (CID 163522190) is (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine is COc1ccc(CN[C@H](c2ccccc2)[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
The InChIKey is DLUDVKPGQZDPFE-KKLWWLSJSA-N. The full InChI is InChI=1S/C34H33N2O2P/c1-38-30-24-22-27(23-25-30)26-35-33(28-14-6-2-7-15-28)34(29-16-8-3-9-17-29)36-39(37,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-25,33-35H,26H2,1H3,(H,36,37)/t33-,34-/m1/s1.
What are the key properties of (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine?
(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine has a molecular weight of 532.62 g/mol, XLogP of 6.79, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 163522190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).