4-(butylamino)-4-diphenylphosphorylbutan-1-ol

C20H28NO2P — CID 162408899

IUPAC4-(butylamino)-4-diphenylphosphorylbutan-1-ol
SMILESCCCCNC(CCCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28NO2P/c1-2-3-16-21-20(15-10-17-22)24(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,2-3,10,15-17H2,1H3
InChIKeyXDBHUVSPWCJASG-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.49
Rot. Bonds10

About 4-(butylamino)-4-diphenylphosphorylbutan-1-ol

4-(butylamino)-4-diphenylphosphorylbutan-1-ol (PubChem CID 162408899) has the molecular formula C20H28NO2P and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(butylamino)-4-diphenylphosphorylbutan-1-ol.

Molecular Properties

Compound Name4-(butylamino)-4-diphenylphosphorylbutan-1-ol
PubChem CID162408899
Molecular FormulaC20H28NO2P
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name4-(butylamino)-4-diphenylphosphorylbutan-1-ol
SMILESCCCCNC(CCCO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28NO2P/c1-2-3-16-21-20(15-10-17-22)24(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,2-3,10,15-17H2,1H3
InChIKeyXDBHUVSPWCJASG-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
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

N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
CID 98040519
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene
CID 10021038
[phenyl-(tridecylamino)methyl]phosphonic acid
CID 134917630
[(S)-(decylamino)-phenylmethyl]phosphonic acid
CID 98130579
2-(2-bromophenyl)-2-(butylamino)acetic acid
CID 84747018
benzoic acid;hexan-1-ol
CID 163447913
benzoic acid;hexan-1-ol
CID 175334621
benzoic acid;tridecan-1-ol
CID 67710151

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-4-diphenylphosphorylbutan-1-ol?
The IUPAC name of 4-(butylamino)-4-diphenylphosphorylbutan-1-ol (CID 162408899) is 4-(butylamino)-4-diphenylphosphorylbutan-1-ol.
What is the SMILES notation for 4-(butylamino)-4-diphenylphosphorylbutan-1-ol?
The canonical SMILES for 4-(butylamino)-4-diphenylphosphorylbutan-1-ol is CCCCNC(CCCO)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(butylamino)-4-diphenylphosphorylbutan-1-ol?
The InChIKey is XDBHUVSPWCJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO2P/c1-2-3-16-21-20(15-10-17-22)24(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20-22H,2-3,10,15-17H2,1H3.
What are the key properties of 4-(butylamino)-4-diphenylphosphorylbutan-1-ol?
4-(butylamino)-4-diphenylphosphorylbutan-1-ol has a molecular weight of 345.42 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-4-diphenylphosphorylbutan-1-ol is sourced from PubChem (CID 162408899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).