2-(diphenylphosphorylamino)-3-methylbutan-1-ol

C17H22NO2P — CID 23241768

IUPAC2-(diphenylphosphorylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NO2P/c1-14(2)17(13-19)18-21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3,(H,18,20)
InChIKeyAMVSHUAKPYPDBJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.52
Rot. Bonds6

About 2-(diphenylphosphorylamino)-3-methylbutan-1-ol

2-(diphenylphosphorylamino)-3-methylbutan-1-ol (PubChem CID 23241768) has the molecular formula C17H22NO2P and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(diphenylphosphorylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(diphenylphosphorylamino)-3-methylbutan-1-ol
PubChem CID23241768
Molecular FormulaC17H22NO2P
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-(diphenylphosphorylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NO2P/c1-14(2)17(13-19)18-21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3,(H,18,20)
InChIKeyAMVSHUAKPYPDBJ-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
CID 23241767
(3S,4S)-4-(diphenylphosphorylamino)-5-methylhex-1-en-3-ol
CID 10520391
[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 79256333
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
(3S)-N-diphenylphosphoryl-4-methyl-1-phenylpent-1-yn-3-amine
CID 102043230
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
N-diphenylphosphoryl-1-(4-methylphenyl)ethanamine
CID 72834270
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
2-[(diphenylphosphorylamino)-(4-fluorophenyl)methyl]-3-methylbut-3-en-1-ol
CID 132551523
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
CID 103256512
2,2,2-trichloro-N-diphenylphosphoryl-1-phenylethanamine
CID 122369831
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79250086

Frequently Asked Questions

What is the IUPAC name of 2-(diphenylphosphorylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(diphenylphosphorylamino)-3-methylbutan-1-ol (CID 23241768) is 2-(diphenylphosphorylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(diphenylphosphorylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(diphenylphosphorylamino)-3-methylbutan-1-ol is CC(C)C(CO)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylphosphorylamino)-3-methylbutan-1-ol?
The InChIKey is AMVSHUAKPYPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO2P/c1-14(2)17(13-19)18-21(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19H,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(diphenylphosphorylamino)-3-methylbutan-1-ol?
2-(diphenylphosphorylamino)-3-methylbutan-1-ol has a molecular weight of 303.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylphosphorylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 23241768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).