(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol

C27H26NO2P — CID 23241767

IUPAC(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
SMILESO=P(N[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NO2P/c29-27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)28-31(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,29H,21H2,(H,28,30)/t26-,27+/m0/s1
InChIKeyHHQMJWANLJPJHD-RRPNLBNLSA-N
MW427.48 g/mol
LogP4.85
Rot. Bonds8

About (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol

(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol (PubChem CID 23241767) has the molecular formula C27H26NO2P and a molecular weight of 427.48 g/mol. Its IUPAC name is (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
PubChem CID23241767
Molecular FormulaC27H26NO2P
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
SMILESO=P(N[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NO2P/c29-27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)28-31(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,29H,21H2,(H,28,30)/t26-,27+/m0/s1
InChIKeyHHQMJWANLJPJHD-RRPNLBNLSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphorylamino)-3-methylbutan-1-ol
CID 23241768
(2R)-N-diphenylphosphoryl-1-phenylpentan-2-amine
CID 14934133
2-(diphenylphosphorylamino)-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 23420726
3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile
CID 66751438
(1R)-1,2-diphenylethanol
CID 1379022
(1S,3S)-3-N-diphenylphosphoryl-1-(4-methoxyphenyl)-4-phenylbutane-1,3-diamine
CID 100962675
2,2,2-trichloro-N-diphenylphosphoryl-1-phenylethanamine
CID 122369831
2-(diphenylphosphorylamino)-1,2-diphenylethanone
CID 86012008
(1S)-N-diphenylphosphoryl-1-phenylbut-3-en-1-amine
CID 139116114
(2-diphenylphosphoryl-3-phenylpropyl)benzene
CID 162399003
N-diphenylphosphoryl-2-nitro-1-phenylpropan-1-amine
CID 72811858
(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine
CID 101226824

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol (CID 23241767) is (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol is O=P(N[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol?
The InChIKey is HHQMJWANLJPJHD-RRPNLBNLSA-N. The full InChI is InChI=1S/C27H26NO2P/c29-27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)28-31(30,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,29H,21H2,(H,28,30)/t26-,27+/m0/s1.
What are the key properties of (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol?
(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol has a molecular weight of 427.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol is sourced from PubChem (CID 23241767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).