(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol

C20H28NOP — CID 23650610

IUPAC(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol
SMILESCCC(C)[P@](c1ccccc1)N(C)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H28NOP/c1-5-16(2)23(19-14-10-7-11-15-19)21(4)17(3)20(22)18-12-8-6-9-13-18/h6-17,20,22H,5H2,1-4H3/t16?,17-,20-,23-/m1/s1
InChIKeyXGCKZVYKOPHWNO-YKSJBVHGSA-N
MW329.42 g/mol
LogP4.56
Rot. Bonds7

About (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol

(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol (PubChem CID 23650610) has the molecular formula C20H28NOP and a molecular weight of 329.42 g/mol. Its IUPAC name is (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol
PubChem CID23650610
Molecular FormulaC20H28NOP
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol
SMILESCCC(C)[P@](c1ccccc1)N(C)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H28NOP/c1-5-16(2)23(19-14-10-7-11-15-19)21(4)17(3)20(22)18-12-8-6-9-13-18/h6-17,20,22H,5H2,1-4H3/t16?,17-,20-,23-/m1/s1
InChIKeyXGCKZVYKOPHWNO-YKSJBVHGSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
CID 10902251
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
CID 23650451
CID 23650451
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol (CID 23650610) is (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol is CCC(C)[P@](c1ccccc1)N(C)[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol?
The InChIKey is XGCKZVYKOPHWNO-YKSJBVHGSA-N. The full InChI is InChI=1S/C20H28NOP/c1-5-16(2)23(19-14-10-7-11-15-19)21(4)17(3)20(22)18-12-8-6-9-13-18/h6-17,20,22H,5H2,1-4H3/t16?,17-,20-,23-/m1/s1.
What are the key properties of (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol?
(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol has a molecular weight of 329.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 23650610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).