(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol

C20H27NO2 — CID 93162759

IUPAC(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
SMILESCCCN(Cc1ccccc1C)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-13-21(14-18-10-8-7-9-17(18)2)15-19(22)16-23-20-11-5-4-6-12-20/h4-12,19,22H,3,13-16H2,1-2H3/t19-/m1/s1
InChIKeyFJRFVGNYKPLRGX-LJQANCHMSA-N
MW313.44 g/mol
LogP3.65
Rot. Bonds9

About (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol

(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol (PubChem CID 93162759) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
PubChem CID93162759
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
SMILESCCCN(Cc1ccccc1C)C[C@@H](O)COc1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-13-21(14-18-10-8-7-9-17(18)2)15-19(22)16-23-20-11-5-4-6-12-20/h4-12,19,22H,3,13-16H2,1-2H3/t19-/m1/s1
InChIKeyFJRFVGNYKPLRGX-LJQANCHMSA-N
XLogP3.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 42682310
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
(2R)-1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenoxypropan-2-ol
CID 93147109
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzonitrile
CID 167570831

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol (CID 93162759) is (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol is CCCN(Cc1ccccc1C)C[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
The InChIKey is FJRFVGNYKPLRGX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-13-21(14-18-10-8-7-9-17(18)2)15-19(22)16-23-20-11-5-4-6-12-20/h4-12,19,22H,3,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol?
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 93162759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).