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

C17H22N2O2 — CID 140879411

IUPAC(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESO[C@H](CNCCc1ccccn1)COCc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-17(14-21-13-15-6-2-1-3-7-15)12-18-11-9-16-8-4-5-10-19-16/h1-8,10,17-18,20H,9,11-14H2/t17-/m1/s1
InChIKeyBENIWOWODYFPCZ-QGZVFWFLSA-N
MW286.38 g/mol
LogP1.79
Rot. Bonds9

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

(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol (PubChem CID 140879411) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
PubChem CID140879411
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
SMILESO[C@H](CNCCc1ccccn1)COCc1ccccc1
InChIInChI=1S/C17H22N2O2/c20-17(14-21-13-15-6-2-1-3-7-15)12-18-11-9-16-8-4-5-10-19-16/h1-8,10,17-18,20H,9,11-14H2/t17-/m1/s1
InChIKeyBENIWOWODYFPCZ-QGZVFWFLSA-N
XLogP1.79
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-[2-(benzhydrylamino)ethylamino]-3-(pyridin-2-ylmethoxy)propan-2-ol
CID 139685684
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
1-(4-chlorophenoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635632
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 80685680
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[bis(2-pyridin-2-ylethyl)amino]-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 101479636
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The IUPAC name of (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol (CID 140879411) is (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol is O[C@H](CNCCc1ccccn1)COCc1ccccc1.
What is the InChIKey of (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol?
The InChIKey is BENIWOWODYFPCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(14-21-13-15-6-2-1-3-7-15)12-18-11-9-16-8-4-5-10-19-16/h1-8,10,17-18,20H,9,11-14H2/t17-/m1/s1.
What are the key properties of (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol?
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 140879411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).