4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol

C20H20N2O — CID 95296775

IUPAC4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1cccnc1
InChIInChI=1S/C20H20N2O/c1-15(18-8-5-11-21-13-18)22-14-19-12-17(9-10-20(19)23)16-6-3-2-4-7-16/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1
InChIKeyFEALDSXRTBJBPQ-OAHLLOKOSA-N
MW304.39 g/mol
LogP4.30
Rot. Bonds5

About 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol

4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol (PubChem CID 95296775) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
PubChem CID95296775
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1cccnc1
InChIInChI=1S/C20H20N2O/c1-15(18-8-5-11-21-13-18)22-14-19-12-17(9-10-20(19)23)16-6-3-2-4-7-16/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1
InChIKeyFEALDSXRTBJBPQ-OAHLLOKOSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
2-[[[(1R,2R)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]-4-phenylphenol
CID 102469425
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
2-[(benzylamino)methyl]-4-pyridin-3-ylphenol
CID 26341008
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
(2S)-2-[(2-hydroxy-5-phenylphenyl)methylamino]-2-phenylacetamide
CID 95567469
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The IUPAC name of 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol (CID 95296775) is 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The canonical SMILES for 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol is C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1cccnc1.
What is the InChIKey of 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The InChIKey is FEALDSXRTBJBPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15(18-8-5-11-21-13-18)22-14-19-12-17(9-10-20(19)23)16-6-3-2-4-7-16/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1.
What are the key properties of 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]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 4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 95296775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).