(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol

C15H18N2O — CID 113357070

IUPAC(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
SMILESC[C@@H](O)CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(18)11-17-15(13-5-3-2-4-6-13)14-7-9-16-10-8-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15?/m1/s1
InChIKeyAOQTWXHVFXHHSQ-KEKZHRQWSA-N
MW242.32 g/mol
LogP2.14
Rot. Bonds5

About (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol

(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol (PubChem CID 113357070) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
PubChem CID113357070
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
SMILESC[C@@H](O)CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(18)11-17-15(13-5-3-2-4-6-13)14-7-9-16-10-8-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15?/m1/s1
InChIKeyAOQTWXHVFXHHSQ-KEKZHRQWSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
CID 110010234
2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
CID 114982552
3,3-dimethyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 60697579
2,2-dimethyl-3-[[phenyl(pyridin-4-yl)methyl]amino]propanoic acid
CID 79621337
3-methylsulfanyl-N-[phenyl(pyridin-4-yl)methyl]butan-1-amine
CID 115971802
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol (CID 113357070) is (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol is C[C@@H](O)CNC(c1ccccc1)c1ccncc1.
What is the InChIKey of (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
The InChIKey is AOQTWXHVFXHHSQ-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(18)11-17-15(13-5-3-2-4-6-13)14-7-9-16-10-8-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15?/m1/s1.
What are the key properties of (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol?
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 113357070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).