N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine

C35H35NP2 — CID 12029609

IUPACN-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine
SMILESc1ccc(CN(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H35NP2/c1-6-16-31(17-7-1)30-36(26-28-37(32-18-8-2-9-19-32)33-20-10-3-11-21-33)27-29-38(34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25H,26-30H2
InChIKeyBQTOCGLEJWZBHI-UHFFFAOYSA-N
MW531.62 g/mol
LogP6.75
Rot. Bonds12

About N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine

N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine (PubChem CID 12029609) has the molecular formula C35H35NP2 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine
PubChem CID12029609
Molecular FormulaC35H35NP2
Molecular Weight531.62 g/mol
Exact Mass531.22
IUPAC NameN-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine
SMILESc1ccc(CN(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H35NP2/c1-6-16-31(17-7-1)30-36(26-28-37(32-18-8-2-9-19-32)33-20-10-3-11-21-33)27-29-38(34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25H,26-30H2
InChIKeyBQTOCGLEJWZBHI-UHFFFAOYSA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N-benzyl-3-bromo-N-(3-bromopropyl)propan-1-amine
CID 23242798
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
N,N-bis(2-diphenylphosphanylethyl)propan-1-amine;dichlororuthenium;2-phenylethanethial
CID 11040067
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
cycloocta-1,5-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iridium
CID 172852253
N,N-dibenzylpropan-1-amine
CID 10840212
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine?
The IUPAC name of N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine (CID 12029609) is N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine.
What is the SMILES notation for N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine?
The canonical SMILES for N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine is c1ccc(CN(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine?
The InChIKey is BQTOCGLEJWZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35NP2/c1-6-16-31(17-7-1)30-36(26-28-37(32-18-8-2-9-19-32)33-20-10-3-11-21-33)27-29-38(34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-25H,26-30H2.
What are the key properties of N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine?
N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine has a molecular weight of 531.62 g/mol, XLogP of 6.75, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine is sourced from PubChem (CID 12029609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).