(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol

C25H38N2O2 — CID 156692842

IUPAC(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol
SMILESCCCCCCCCCCCOc1cccc(-c2ccnc(NC[C@@H](C)O)c2)c1
InChIInChI=1S/C25H38N2O2/c1-3-4-5-6-7-8-9-10-11-17-29-24-14-12-13-22(18-24)23-15-16-26-25(19-23)27-20-21(2)28/h12-16,18-19,21,28H,3-11,17,20H2,1-2H3,(H,26,27)/t21-/m1/s1
InChIKeyNTWMCQJBRMYKJI-OAQYLSRUSA-N
MW398.59 g/mol
LogP6.45
Rot. Bonds15

About (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol

(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 156692842) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID156692842
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol
SMILESCCCCCCCCCCCOc1cccc(-c2ccnc(NC[C@@H](C)O)c2)c1
InChIInChI=1S/C25H38N2O2/c1-3-4-5-6-7-8-9-10-11-17-29-24-14-12-13-22(18-24)23-15-16-26-25(19-23)27-20-21(2)28/h12-16,18-19,21,28H,3-11,17,20H2,1-2H3,(H,26,27)/t21-/m1/s1
InChIKeyNTWMCQJBRMYKJI-OAQYLSRUSA-N
XLogP6.45
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol with MolForge

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Related Compounds

4-(3-octadecoxyphenyl)phenol
CID 91091323
3-octoxy-5-(3-pentoxyphenyl)pyridazine
CID 19103382
3-hexoxy-5-(3-hexoxyphenyl)pyridazine
CID 19103412
4-[3,5-di(tetradecoxy)phenyl]-2-[4-[3,5-di(tetradecoxy)phenyl]-2-pyridinyl]pyridine
CID 132565558
1,3-dihexadecoxybenzene
CID 12686834
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
3-dodecoxyphenol
CID 15719132
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
1-oxido-4-(3-undecoxyphenyl)pyridin-1-ium
CID 156692937
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
2-(ethylamino)-1-(3-octadecoxyphenyl)ethanol
CID 21413933

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol (CID 156692842) is (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol is CCCCCCCCCCCOc1cccc(-c2ccnc(NC[C@@H](C)O)c2)c1.
What is the InChIKey of (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is NTWMCQJBRMYKJI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-3-4-5-6-7-8-9-10-11-17-29-24-14-12-13-22(18-24)23-15-16-26-25(19-23)27-20-21(2)28/h12-16,18-19,21,28H,3-11,17,20H2,1-2H3,(H,26,27)/t21-/m1/s1.
What are the key properties of (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol?
(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 398.59 g/mol, XLogP of 6.45, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 156692842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).