2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline

C26H41NP2 — CID 87444704

IUPAC2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline
SMILESCCCP(CCC)c1ccccc1N(CC)c1ccccc1P(CCC)CCC
InChIInChI=1S/C26H41NP2/c1-6-19-28(20-7-2)25-17-13-11-15-23(25)27(10-5)24-16-12-14-18-26(24)29(21-8-3)22-9-4/h11-18H,6-10,19-22H2,1-5H3
InChIKeyLBEBRMBBIHOJSV-UHFFFAOYSA-N
MW429.57 g/mol
LogP7.70
Rot. Bonds13

About 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline

2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline (PubChem CID 87444704) has the molecular formula C26H41NP2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline.

Molecular Properties

Compound Name2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline
PubChem CID87444704
Molecular FormulaC26H41NP2
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline
SMILESCCCP(CCC)c1ccccc1N(CC)c1ccccc1P(CCC)CCC
InChIInChI=1S/C26H41NP2/c1-6-19-28(20-7-2)25-17-13-11-15-23(25)27(10-5)24-16-12-14-18-26(24)29(21-8-3)22-9-4/h11-18H,6-10,19-22H2,1-5H3
InChIKeyLBEBRMBBIHOJSV-UHFFFAOYSA-N
XLogP7.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 57.70
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

2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline
CID 87445133
2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-methylaniline
CID 87444995
[2-(2-dipentylphosphanylphenyl)phenyl]-dipentylphosphane
CID 87309662
(2-diethylphosphanylphenyl)-diethylphosphane
CID 14874086
2-diphenylphosphanyl-N,N-diethylaniline
CID 13103880
2-dipropylphosphanylnaphthalene-1,4-diol
CID 141045997
(2-methylphenyl)-dioctylphosphane
CID 70128590
N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
CID 174691436
2-ethoxy-N-ethyl-N-phenylaniline
CID 101288968
dipentyl-(2-phenylphenyl)phosphane
CID 67449535
N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
CID 12969629
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489

Frequently Asked Questions

What is the IUPAC name of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline?
The IUPAC name of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline (CID 87444704) is 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline.
What is the SMILES notation for 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline?
The canonical SMILES for 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline is CCCP(CCC)c1ccccc1N(CC)c1ccccc1P(CCC)CCC.
What is the InChIKey of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline?
The InChIKey is LBEBRMBBIHOJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NP2/c1-6-19-28(20-7-2)25-17-13-11-15-23(25)27(10-5)24-16-12-14-18-26(24)29(21-8-3)22-9-4/h11-18H,6-10,19-22H2,1-5H3.
What are the key properties of 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline?
2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline has a molecular weight of 429.57 g/mol, XLogP of 7.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dipropylphosphanyl-N-(2-dipropylphosphanylphenyl)-N-ethylaniline is sourced from PubChem (CID 87444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).