2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine

C23H26Cl2NO2P — CID 167111028

IUPAC2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine
SMILESNCCOCCOCc1cccc(P(Cl)(Cl)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H26Cl2NO2P/c24-29(25,21-9-3-1-4-10-21,22-11-5-2-6-12-22)23-13-7-8-20(18-23)19-28-17-16-27-15-14-26/h1-13,18H,14-17,19,26H2
InChIKeySJURFKVEZAROIG-UHFFFAOYSA-N
MW450.35 g/mol
LogP4.32
Rot. Bonds10

About 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine

2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine (PubChem CID 167111028) has the molecular formula C23H26Cl2NO2P and a molecular weight of 450.35 g/mol. Its IUPAC name is 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine
PubChem CID167111028
Molecular FormulaC23H26Cl2NO2P
Molecular Weight450.35 g/mol
Exact Mass449.11
IUPAC Name2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine
SMILESNCCOCCOCc1cccc(P(Cl)(Cl)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H26Cl2NO2P/c24-29(25,21-9-3-1-4-10-21,22-11-5-2-6-12-22)23-13-7-8-20(18-23)19-28-17-16-27-15-14-26/h1-13,18H,14-17,19,26H2
InChIKeySJURFKVEZAROIG-UHFFFAOYSA-N
XLogP4.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
ethane;2-phenylmethoxyethanamine
CID 142016503
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[2-(3-chlorophenyl)ethoxy]ethanamine
CID 94766900
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine (CID 167111028) is 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine is NCCOCCOCc1cccc(P(Cl)(Cl)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine?
The InChIKey is SJURFKVEZAROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2NO2P/c24-29(25,21-9-3-1-4-10-21,22-11-5-2-6-12-22)23-13-7-8-20(18-23)19-28-17-16-27-15-14-26/h1-13,18H,14-17,19,26H2.
What are the key properties of 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine?
2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine has a molecular weight of 450.35 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[dichloro(diphenyl)-λ5-phosphanyl]phenyl]methoxy]ethoxy]ethanamine is sourced from PubChem (CID 167111028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).