(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

C27H27N2P — CID 102294880

IUPAC(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESC[C@@H](c1ccccc1)N([C@@H](C)c1ccccn1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N2P/c1-22(24-14-6-3-7-15-24)29(23(2)27-20-12-13-21-28-27)30(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-23H,1-2H3/t22-,23-/m0/s1
InChIKeyDIKSKNXXFUMLFV-GOTSBHOMSA-N
MW410.50 g/mol
LogP6.25
Rot. Bonds7

About (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine

(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (PubChem CID 102294880) has the molecular formula C27H27N2P and a molecular weight of 410.50 g/mol. Its IUPAC name is (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
PubChem CID102294880
Molecular FormulaC27H27N2P
Molecular Weight410.50 g/mol
Exact Mass410.19
IUPAC Name(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
SMILESC[C@@H](c1ccccc1)N([C@@H](C)c1ccccn1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N2P/c1-22(24-14-6-3-7-15-24)29(23(2)27-20-12-13-21-28-27)30(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-23H,1-2H3/t22-,23-/m0/s1
InChIKeyDIKSKNXXFUMLFV-GOTSBHOMSA-N
XLogP6.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
ethane;2-(1-phenylethyl)pyridine
CID 143899083
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
CID 101016472
[diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane
CID 15398914
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138

Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The IUPAC name of (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine (CID 102294880) is (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The canonical SMILES for (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is C[C@@H](c1ccccc1)N([C@@H](C)c1ccccn1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
The InChIKey is DIKSKNXXFUMLFV-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H27N2P/c1-22(24-14-6-3-7-15-24)29(23(2)27-20-12-13-21-28-27)30(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-23H,1-2H3/t22-,23-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine?
(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine has a molecular weight of 410.50 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine is sourced from PubChem (CID 102294880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).