N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline

C23H26N3OP — CID 11574670

IUPACN-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
SMILESO[P@@]1N(c2ccccc2)C[C@H](CCNc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H26N3OP/c27-28-25(18-20-10-4-1-5-11-20)23(16-17-24-21-12-6-2-7-13-21)19-26(28)22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2/t23-,28+/m0/s1
InChIKeyXOXGYLKAHOXZFO-NEKDWFFYSA-N
MW391.46 g/mol
LogP5.10
Rot. Bonds7

About N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline

N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline (PubChem CID 11574670) has the molecular formula C23H26N3OP and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
PubChem CID11574670
Molecular FormulaC23H26N3OP
Molecular Weight391.46 g/mol
Exact Mass391.18
IUPAC NameN-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
SMILESO[P@@]1N(c2ccccc2)C[C@H](CCNc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H26N3OP/c27-28-25(18-20-10-4-1-5-11-20)23(16-17-24-21-12-6-2-7-13-21)19-26(28)22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2/t23-,28+/m0/s1
InChIKeyXOXGYLKAHOXZFO-NEKDWFFYSA-N
XLogP5.10
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2S,4R)-2-hydroxy-1-phenyl-3-[(3-phenylphenyl)methyl]-1,3,2-diazaphospholidin-4-yl]ethyl]aniline
CID 16752789
3-(4-anilinobutyl)-1-benzylpiperidin-4-ol
CID 91699509
4-(anilinomethyl)-1-benzyl-3-phenylimidazolidin-2-one
CID 102042871
ethane;N-(2-phenylethyl)aniline
CID 91194556
N-(2-cycloundecylethyl)cyclodecapentaenamine
CID 155097457
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771
N-[[(3S,4S)-1,4-dibenzylpyrrolidin-3-yl]methyl]aniline
CID 90744168
(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
CID 59394921
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
CID 54330265

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
The IUPAC name of N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline (CID 11574670) is N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline.
What is the SMILES notation for N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
The canonical SMILES for N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline is O[P@@]1N(c2ccccc2)C[C@H](CCNc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
The InChIKey is XOXGYLKAHOXZFO-NEKDWFFYSA-N. The full InChI is InChI=1S/C23H26N3OP/c27-28-25(18-20-10-4-1-5-11-20)23(16-17-24-21-12-6-2-7-13-21)19-26(28)22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2/t23-,28+/m0/s1.
What are the key properties of N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline?
N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline has a molecular weight of 391.46 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4S)-3-benzyl-2-hydroxy-1-phenyl-1,3,2-diazaphospholidin-4-yl]ethyl]aniline is sourced from PubChem (CID 11574670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).