2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine

C34H33NOP2 — CID 101232450

IUPAC2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(NCCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33NOP2/c1-36-29-24-22-28(23-25-29)34(38(32-18-10-4-11-19-32)33-20-12-5-13-21-33)35-26-27-37(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h2-25,34-35H,26-27H2,1H3
InChIKeyWLPSGJXXYAZIQZ-UHFFFAOYSA-N
MW533.59 g/mol
LogP6.55
Rot. Bonds11

About 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine

2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 101232450) has the molecular formula C34H33NOP2 and a molecular weight of 533.59 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine
PubChem CID101232450
Molecular FormulaC34H33NOP2
Molecular Weight533.59 g/mol
Exact Mass533.20
IUPAC Name2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(C(NCCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H33NOP2/c1-36-29-24-22-28(23-25-29)34(38(32-18-10-4-11-19-32)33-20-12-5-13-21-33)35-26-27-37(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h2-25,34-35H,26-27H2,1H3
InChIKeyWLPSGJXXYAZIQZ-UHFFFAOYSA-N
XLogP6.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.59
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[diphenylphosphanyl-(2-diphenylphosphanylethylamino)methyl]benzoate
CID 101232449
ethyl 4-[diphenylphosphanyl-(4-methoxyanilino)methyl]benzoate
CID 11477229
benzyl-bis(4-methoxyphenyl)phosphane
CID 19835460
(1R)-N-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-1-phenylethanamine
CID 102405942
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 173003302
(2,5-dimethoxyphenyl)-[2-[(2,5-dimethoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane
CID 25059236
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
(4-methoxyphenyl)methyl-(2-methylphenyl)-phenylphosphane
CID 174887519
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine (CID 101232450) is 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine is COc1ccc(C(NCCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is WLPSGJXXYAZIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NOP2/c1-36-29-24-22-28(23-25-29)34(38(32-18-10-4-11-19-32)33-20-12-5-13-21-33)35-26-27-37(30-14-6-2-7-15-30)31-16-8-3-9-17-31/h2-25,34-35H,26-27H2,1H3.
What are the key properties of 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine?
2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 533.59 g/mol, XLogP of 6.55, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-[diphenylphosphanyl-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 101232450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).