(2S)-N-diphenylphosphorylbutan-2-amine

C16H20NOP — CID 12596140

IUPAC(2S)-N-diphenylphosphorylbutan-2-amine
SMILESCC[C@H](C)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NOP/c1-3-14(2)17-19(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyHMBFBLSTEGEJDM-AWEZNQCLSA-N
MW273.32 g/mol
LogP3.30
Rot. Bonds5

About (2S)-N-diphenylphosphorylbutan-2-amine

(2S)-N-diphenylphosphorylbutan-2-amine (PubChem CID 12596140) has the molecular formula C16H20NOP and a molecular weight of 273.32 g/mol. Its IUPAC name is (2S)-N-diphenylphosphorylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-diphenylphosphorylbutan-2-amine
PubChem CID12596140
Molecular FormulaC16H20NOP
Molecular Weight273.32 g/mol
Exact Mass273.13
IUPAC Name(2S)-N-diphenylphosphorylbutan-2-amine
SMILESCC[C@H](C)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NOP/c1-3-14(2)17-19(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyHMBFBLSTEGEJDM-AWEZNQCLSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Diphenylphosphino)-1-propylamine
CID 280677
(2S)-1-(Diphenylphosphanyl)-3-methylbutan-2-amine
CID 15145880
(2R)-2-(diphenylphosphorylamino)butan-1-ol
CID 57401999
N-diphenylphosphorylcyclohexanamine
CID 246893
n-Tert-butyl-p,p-diphenylphosphinous amide
CID 266993
Phosphonic acid, phenyl-, compd. with cyclohexylamine (1:1)
CID 209796
(2-Aminoethyl)diphenylphosphine
CID 273264
(S)-1-(Diphenylphosphino)-3,3-dimethylbutan-2-amine
CID 10731871
(1S,2S)-2-(Diphenylphosphino)cyclohexanamine
CID 11166389
Stk377126
CID 3722461
[(2R)-2-amino-3-methylbutyl]diphenylphosphane
CID 72376444
(2S)-2-(diphenylphosphorylamino)butan-1-ol
CID 12177559

Frequently Asked Questions

What is the IUPAC name of (2S)-N-diphenylphosphorylbutan-2-amine?
The IUPAC name of (2S)-N-diphenylphosphorylbutan-2-amine (CID 12596140) is (2S)-N-diphenylphosphorylbutan-2-amine.
What is the SMILES notation for (2S)-N-diphenylphosphorylbutan-2-amine?
The canonical SMILES for (2S)-N-diphenylphosphorylbutan-2-amine is CC[C@H](C)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-diphenylphosphorylbutan-2-amine?
The InChIKey is HMBFBLSTEGEJDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20NOP/c1-3-14(2)17-19(18,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-N-diphenylphosphorylbutan-2-amine?
(2S)-N-diphenylphosphorylbutan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-diphenylphosphorylbutan-2-amine is sourced from PubChem (CID 12596140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).