(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol

C16H20N2O — CID 97238015

IUPAC(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
SMILESC[C@H](NCc1ccccn1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-13(18-12-15-9-5-6-10-17-15)16(19)11-14-7-3-2-4-8-14/h2-10,13,16,18-19H,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyLUTXNKHOZNFUJY-XJKSGUPXSA-N
MW256.35 g/mol
LogP2.16
Rot. Bonds6

About (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol

(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol (PubChem CID 97238015) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
PubChem CID97238015
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
SMILESC[C@H](NCc1ccccn1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-13(18-12-15-9-5-6-10-17-15)16(19)11-14-7-3-2-4-8-14/h2-10,13,16,18-19H,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyLUTXNKHOZNFUJY-XJKSGUPXSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
CID 133400189
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
(2R,3S)-3-amino-4-phenyl-1-(pyridin-2-ylmethylamino)butan-2-ol
CID 68608574
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
4-methyl-1-pyridin-2-ylpentane-2,3-diol
CID 103456469
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol?
The IUPAC name of (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol (CID 97238015) is (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol?
The canonical SMILES for (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol is C[C@H](NCc1ccccn1)[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol?
The InChIKey is LUTXNKHOZNFUJY-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(18-12-15-9-5-6-10-17-15)16(19)11-14-7-3-2-4-8-14/h2-10,13,16,18-19H,11-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol?
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 97238015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).