3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol

C20H20N2O — CID 124574212

IUPAC3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol
SMILESC[C@H](NCc1cccc(-c2cccnc2)c1)c1cccc(O)c1
InChIInChI=1S/C20H20N2O/c1-15(17-6-3-9-20(23)12-17)22-13-16-5-2-7-18(11-16)19-8-4-10-21-14-19/h2-12,14-15,22-23H,13H2,1H3/t15-/m0/s1
InChIKeyRLSWAVITHLTVEH-HNNXBMFYSA-N
MW304.39 g/mol
LogP4.30
Rot. Bonds5

About 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol

3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol (PubChem CID 124574212) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol
PubChem CID124574212
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol
SMILESC[C@H](NCc1cccc(-c2cccnc2)c1)c1cccc(O)c1
InChIInChI=1S/C20H20N2O/c1-15(17-6-3-9-20(23)12-17)22-13-16-5-2-7-18(11-16)19-8-4-10-21-14-19/h2-12,14-15,22-23H,13H2,1H3/t15-/m0/s1
InChIKeyRLSWAVITHLTVEH-HNNXBMFYSA-N
XLogP4.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol (CID 124574212) is 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol is C[C@H](NCc1cccc(-c2cccnc2)c1)c1cccc(O)c1.
What is the InChIKey of 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol?
The InChIKey is RLSWAVITHLTVEH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15(17-6-3-9-20(23)12-17)22-13-16-5-2-7-18(11-16)19-8-4-10-21-14-19/h2-12,14-15,22-23H,13H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol?
3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(3-pyridin-3-ylphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 124574212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).