N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline

C26H32N2 — CID 139177638

IUPACN-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC[C@](C)(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H32N2/c1-19(2)22-14-11-15-23(20(3)4)25(22)28-18-26(5,21-12-7-6-8-13-21)24-16-9-10-17-27-24/h6-17,19-20,28H,18H2,1-5H3/t26-/m1/s1
InChIKeyQUCMNMXQVKCPMF-AREMUKBSSA-N
MW372.56 g/mol
LogP6.75
Rot. Bonds7

About N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline

N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline (PubChem CID 139177638) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline
PubChem CID139177638
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC[C@](C)(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H32N2/c1-19(2)22-14-11-15-23(20(3)4)25(22)28-18-26(5,21-12-7-6-8-13-21)24-16-9-10-17-27-24/h6-17,19-20,28H,18H2,1-5H3/t26-/m1/s1
InChIKeyQUCMNMXQVKCPMF-AREMUKBSSA-N
XLogP6.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)benzamide
CID 87976563
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
CID 18441374
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
[2,6-di(propan-2-yl)phenyl]-(2-pyridin-2-ylpropan-2-yl)azanide;ethylbenzene;methanidylbenzene;zirconium(4+)
CID 59870960
2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
CID 139459217
CID 87350258
CID 87350258
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-[(2S)-2-pyridin-2-ylpropyl]propanimidamide
CID 139174149
3,4,5,6-tetrafluoro-2-N,2-N-dimethyl-1-N-[2-methyl-3-(2,3,4,5,6-pentafluoroanilino)-2-pyridin-2-ylpropyl]benzene-1,2-diamine
CID 102111943
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
3-benzyl-1-[2,6-di(propan-2-yl)-N-(2-pyridin-2-ylpropan-2-yl)anilino]pentan-3-ol
CID 87967947
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
CID 139174144

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline (CID 139177638) is N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC[C@](C)(c1ccccc1)c1ccccn1.
What is the InChIKey of N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is QUCMNMXQVKCPMF-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32N2/c1-19(2)22-14-11-15-23(20(3)4)25(22)28-18-26(5,21-12-7-6-8-13-21)24-16-9-10-17-27-24/h6-17,19-20,28H,18H2,1-5H3/t26-/m1/s1.
What are the key properties of N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline?
N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 372.56 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 139177638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).