N-(2-diphenylphosphorylethyl)butan-1-amine

C18H24NOP — CID 11324075

IUPACN-(2-diphenylphosphorylethyl)butan-1-amine
SMILESCCCCNCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-2-3-14-19-15-16-21(20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,2-3,14-16H2,1H3
InChIKeyAAWYMQFWINXOTK-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.39
Rot. Bonds8

About N-(2-diphenylphosphorylethyl)butan-1-amine

N-(2-diphenylphosphorylethyl)butan-1-amine (PubChem CID 11324075) has the molecular formula C18H24NOP and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-diphenylphosphorylethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-diphenylphosphorylethyl)butan-1-amine
PubChem CID11324075
Molecular FormulaC18H24NOP
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-(2-diphenylphosphorylethyl)butan-1-amine
SMILESCCCCNCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-2-3-14-19-15-16-21(20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,2-3,14-16H2,1H3
InChIKeyAAWYMQFWINXOTK-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(Diphenylphosphino)-N,N-dimethyl-1-propanamine
CID 120481
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
1-(2-Diphenylphosphorylethyl)piperidine
CID 1520897
N-butyl-N-[(diphenylphosphoryl)methyl]-1-butanamine
CID 2251614
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655
Stk377126
CID 3722461
4-Phenyl-1,4lambda5-azaphosphinan-4-one
CID 57925957
4-Phenyl-1,4lambda5-azaphosphinan-4-one hydrochloride
CID 66832472
Ethanamine, 2-(diphenylphosphinyl)-n,n-dimethyl-
CID 796914
3-(Butylamino)propyl-triphenylphosphanium;dihydrobromide
CID 46905931

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphorylethyl)butan-1-amine?
The IUPAC name of N-(2-diphenylphosphorylethyl)butan-1-amine (CID 11324075) is N-(2-diphenylphosphorylethyl)butan-1-amine.
What is the SMILES notation for N-(2-diphenylphosphorylethyl)butan-1-amine?
The canonical SMILES for N-(2-diphenylphosphorylethyl)butan-1-amine is CCCCNCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphorylethyl)butan-1-amine?
The InChIKey is AAWYMQFWINXOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NOP/c1-2-3-14-19-15-16-21(20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,2-3,14-16H2,1H3.
What are the key properties of N-(2-diphenylphosphorylethyl)butan-1-amine?
N-(2-diphenylphosphorylethyl)butan-1-amine has a molecular weight of 301.37 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphorylethyl)butan-1-amine is sourced from PubChem (CID 11324075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).