(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol

C17H22NOP — CID 10902251

IUPAC(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)[P@@](C)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-14(17(19)15-10-6-4-7-11-15)18(2)20(3)16-12-8-5-9-13-16/h4-14,17,19H,1-3H3/t14-,17-,20-/m0/s1
InChIKeyWQZKQVNVNGATJN-VHFSOBRXSA-N
MW287.34 g/mol
LogP3.39
Rot. Bonds5

About (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol

(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol (PubChem CID 10902251) has the molecular formula C17H22NOP and a molecular weight of 287.34 g/mol. Its IUPAC name is (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
PubChem CID10902251
Molecular FormulaC17H22NOP
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)[P@@](C)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-14(17(19)15-10-6-4-7-11-15)18(2)20(3)16-12-8-5-9-13-16/h4-14,17,19H,1-3H3/t14-,17-,20-/m0/s1
InChIKeyWQZKQVNVNGATJN-VHFSOBRXSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.39
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

(1S,2R)-2-[[butan-2-yl(phenyl)phosphanyl]-methylamino]-1-phenylpropan-1-ol
CID 23650610
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)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
(1R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol
CID 163604644
(1R,2R)-2-[(cyclohexylideneamino)-methylamino]-1-phenylpropan-1-ol
CID 59094751
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol (CID 10902251) is (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol is C[C@@H]([C@H](O)c1ccccc1)N(C)[P@@](C)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol?
The InChIKey is WQZKQVNVNGATJN-VHFSOBRXSA-N. The full InChI is InChI=1S/C17H22NOP/c1-14(17(19)15-10-6-4-7-11-15)18(2)20(3)16-12-8-5-9-13-16/h4-14,17,19H,1-3H3/t14-,17-,20-/m0/s1.
What are the key properties of (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol?
(1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol has a molecular weight of 287.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[methyl-[methyl(phenyl)phosphanyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 10902251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).