(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol

C23H26NO2P — CID 164606310

IUPAC(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol
SMILESCOc1ccccc1-c1ccc(PCN[C@@H](C)C(O)c2ccccc2)cc1
InChIInChI=1S/C23H26NO2P/c1-17(23(25)19-8-4-3-5-9-19)24-16-27-20-14-12-18(13-15-20)21-10-6-7-11-22(21)26-2/h3-15,17,23-25,27H,16H2,1-2H3/t17-,23?/m0/s1
InChIKeyHAOHFTZXCQFWDK-NVHKAFQKSA-N
MW379.44 g/mol
LogP4.34
Rot. Bonds8

About (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol

(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol (PubChem CID 164606310) has the molecular formula C23H26NO2P and a molecular weight of 379.44 g/mol. Its IUPAC name is (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol
PubChem CID164606310
Molecular FormulaC23H26NO2P
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol
SMILESCOc1ccccc1-c1ccc(PCN[C@@H](C)C(O)c2ccccc2)cc1
InChIInChI=1S/C23H26NO2P/c1-17(23(25)19-8-4-3-5-9-19)24-16-27-20-14-12-18(13-15-20)21-10-6-7-11-22(21)26-2/h3-15,17,23-25,27H,16H2,1-2H3/t17-,23?/m0/s1
InChIKeyHAOHFTZXCQFWDK-NVHKAFQKSA-N
XLogP4.34
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 ≤ 54.34
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-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
1-[4-(2-methoxyphenyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171859130
1-[4-(2-methoxyphenyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170821073
3-chloro-1-[4-(2-methoxyphenyl)phenyl]propane-1,2-diol
CID 171863230
3-[4-(2-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 70029206
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
(1R,2S)-2-[[(2-methoxyphenyl)-phenylphosphanyl]methylamino]-1-phenylpropan-1-ol
CID 138732462
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
(2R)-2-[[4-(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 111466419
2-[(3,4-dimethoxyphenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 12999288

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol (CID 164606310) is (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol is COc1ccccc1-c1ccc(PCN[C@@H](C)C(O)c2ccccc2)cc1.
What is the InChIKey of (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol?
The InChIKey is HAOHFTZXCQFWDK-NVHKAFQKSA-N. The full InChI is InChI=1S/C23H26NO2P/c1-17(23(25)19-8-4-3-5-9-19)24-16-27-20-14-12-18(13-15-20)21-10-6-7-11-22(21)26-2/h3-15,17,23-25,27H,16H2,1-2H3/t17-,23?/m0/s1.
What are the key properties of (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol?
(1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol has a molecular weight of 379.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[[4-(2-methoxyphenyl)phenyl]phosphanylmethylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 164606310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).