N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine

C22H24ClNP2 — CID 118967803

IUPACN-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
SMILESCCCCN(P(Cl)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24ClNP2/c1-2-3-19-24(26(23)22-17-11-6-12-18-22)25(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-18H,2-3,19H2,1H3
InChIKeyITRYDQSXUXWDJN-UHFFFAOYSA-N
MW399.84 g/mol
LogP6.01
Rot. Bonds8

About N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine

N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine (PubChem CID 118967803) has the molecular formula C22H24ClNP2 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine.

Molecular Properties

Compound NameN-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
PubChem CID118967803
Molecular FormulaC22H24ClNP2
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC NameN-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
SMILESCCCCN(P(Cl)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24ClNP2/c1-2-3-19-24(26(23)22-17-11-6-12-18-22)25(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-18H,2-3,19H2,1H3
InChIKeyITRYDQSXUXWDJN-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 56.01
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

N,N-bis(diphenylphosphanyl)hexan-1-amine
CID 88592099
N,N-bis(diphenylphosphanyl)-2-hexylsulfanylethanamine
CID 102588137
N-[dibenzofuran-4-yl(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine
CID 118968554
N-diphenylphosphanyl-N-[4-methoxyhepta-2,4-dien-6-yn-3-yl(phenyl)phosphanyl]butan-1-amine
CID 123927813
N,N-bis(diphenylphosphanyl)-3-triethoxysilylpropan-1-amine
CID 15397513
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
(1S,3R)-N-butyl-N-diphenylphosphanyl-1,3-diethyl-1,3-dihydroisophosphindol-2-amine
CID 134344233
N,N-bis(diphenylphosphanyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 122550633
(2R,5S)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344067
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
[[bis(trimethylsilyl)amino]-chlorophosphanyl]benzene
CID 585529
butyl-methyl-phenylphosphane
CID 14832966

Frequently Asked Questions

What is the IUPAC name of N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
The IUPAC name of N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine (CID 118967803) is N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine.
What is the SMILES notation for N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
The canonical SMILES for N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine is CCCCN(P(Cl)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
The InChIKey is ITRYDQSXUXWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNP2/c1-2-3-19-24(26(23)22-17-11-6-12-18-22)25(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-18H,2-3,19H2,1H3.
What are the key properties of N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine?
N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine has a molecular weight of 399.84 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(phenyl)phosphanyl]-N-diphenylphosphanylbutan-1-amine is sourced from PubChem (CID 118967803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).