(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine

C20H28NP — CID 101430602

IUPAC(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H28NP/c1-16(2)20(21-17(3)4)15-22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21H,15H2,1-4H3/t20-/m1/s1
InChIKeyMNFQKKJREXDZLJ-HXUWFJFHSA-N
MW313.43 g/mol
LogP4.14
Rot. Bonds7

About (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine

(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 101430602) has the molecular formula C20H28NP and a molecular weight of 313.43 g/mol. Its IUPAC name is (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
PubChem CID101430602
Molecular FormulaC20H28NP
Molecular Weight313.43 g/mol
Exact Mass313.20
IUPAC Name(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C20H28NP/c1-16(2)20(21-17(3)4)15-22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21H,15H2,1-4H3/t20-/m1/s1
InChIKeyMNFQKKJREXDZLJ-HXUWFJFHSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.14
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

N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
CID 11725380
N,N'-bis[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]butanediamide
CID 11814191
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide
CID 154702963
(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
CID 15145880
(2S)-1-diphenylphosphanyl-3-methyl-N-[(E)-2-phenylpropylideneamino]butan-2-amine
CID 11047705
(2S)-1-diphenylphosphanyl-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 101068607
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
2-methoxypropyl(diphenyl)phosphane
CID 23413688
[(2S)-2-methoxypropyl]-diphenylphosphane
CID 10658854
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
1-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-3-dodecylthiourea
CID 53253494
(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
CID 10731871

Frequently Asked Questions

What is the IUPAC name of (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine (CID 101430602) is (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine is CC(C)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is MNFQKKJREXDZLJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28NP/c1-16(2)20(21-17(3)4)15-22(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21H,15H2,1-4H3/t20-/m1/s1.
What are the key properties of (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine?
(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 313.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 101430602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).