(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol

C16H20N2O — CID 104926141

IUPAC(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(N[C@@H](CO)Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-13(16-9-5-6-10-17-16)18-15(12-19)11-14-7-3-2-4-8-14/h2-10,13,15,18-19H,11-12H2,1H3/t13?,15-/m1/s1
InChIKeyVDANTNBNFVVLIG-AWKYBWMHSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds6

About (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol

(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol (PubChem CID 104926141) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
PubChem CID104926141
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
SMILESCC(N[C@@H](CO)Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-13(16-9-5-6-10-17-16)18-15(12-19)11-14-7-3-2-4-8-14/h2-10,13,15,18-19H,11-12H2,1H3/t13?,15-/m1/s1
InChIKeyVDANTNBNFVVLIG-AWKYBWMHSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
3-phenyl-2-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 113261620

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol?
The IUPAC name of (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol (CID 104926141) is (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol.
What is the SMILES notation for (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol?
The canonical SMILES for (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol is CC(N[C@@H](CO)Cc1ccccc1)c1ccccn1.
What is the InChIKey of (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol?
The InChIKey is VDANTNBNFVVLIG-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(16-9-5-6-10-17-16)18-15(12-19)11-14-7-3-2-4-8-14/h2-10,13,15,18-19H,11-12H2,1H3/t13?,15-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol?
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 104926141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).