(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol

C23H26NO2P — CID 138732462

IUPAC(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
SMILESCOc1ccccc1[P@@](CN[C@@H](C)[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO2P/c1-18(23(25)19-11-5-3-6-12-19)24-17-27(20-13-7-4-8-14-20)22-16-10-9-15-21(22)26-2/h3-16,18,23-25H,17H2,1-2H3/t18-,23-,27-/m0/s1
InChIKeyPRKJLQYGGSYNMV-CAASOKRLSA-N
MW379.44 g/mol
LogP3.80
Rot. Bonds8

About (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol

(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol (PubChem CID 138732462) has the molecular formula C23H26NO2P and a molecular weight of 379.44 g/mol. Its IUPAC name is (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
PubChem CID138732462
Molecular FormulaC23H26NO2P
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
SMILESCOc1ccccc1[P@@](CN[C@@H](C)[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26NO2P/c1-18(23(25)19-11-5-3-6-12-19)24-17-27(20-13-7-4-8-14-20)22-16-10-9-15-21(22)26-2/h3-16,18,23-25H,17H2,1-2H3/t18-,23-,27-/m0/s1
InChIKeyPRKJLQYGGSYNMV-CAASOKRLSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-[[naphthalen-1-yl(phenyl)phosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732473
(1R)-N-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-1-phenylethanamine
CID 102405942
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
(1R,2S)-2-[[[4-[(2S)-2-methylbutyl]phenyl]-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732435
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-methylphosphanyl]ethyl]-phenylphosphane
CID 72586842
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol
CID 164606310
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol (CID 138732462) is (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol is COc1ccccc1[P@@](CN[C@@H](C)[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol?
The InChIKey is PRKJLQYGGSYNMV-CAASOKRLSA-N. The full InChI is InChI=1S/C23H26NO2P/c1-18(23(25)19-11-5-3-6-12-19)24-17-27(20-13-7-4-8-14-20)22-16-10-9-15-21(22)26-2/h3-16,18,23-25H,17H2,1-2H3/t18-,23-,27-/m0/s1.
What are the key properties of (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol?
(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol has a molecular weight of 379.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 138732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).