(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol

C27H27NO2 — CID 1368771

IUPAC(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
SMILESO[C@H](COc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H27NO2/c29-26(21-30-27-16-15-24-13-7-8-14-25(24)17-27)20-28(18-22-9-3-1-4-10-22)19-23-11-5-2-6-12-23/h1-17,26,29H,18-21H2/t26-/m0/s1
InChIKeyYFZMIWFKEZNJHP-SANMLTNESA-N
MW397.52 g/mol
LogP5.28
Rot. Bonds9

About (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol

(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 1368771) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID1368771
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
SMILESO[C@H](COc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H27NO2/c29-26(21-30-27-16-15-24-13-7-8-14-25(24)17-27)20-28(18-22-9-3-1-4-10-22)19-23-11-5-2-6-12-23/h1-17,26,29H,18-21H2/t26-/m0/s1
InChIKeyYFZMIWFKEZNJHP-SANMLTNESA-N
XLogP5.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2884745
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
1-[benzyl-[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 132585804
6-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-1H-quinolin-2-one
CID 10316012
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 55361614
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol (CID 1368771) is (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol is O[C@H](COc1ccc2ccccc2c1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is YFZMIWFKEZNJHP-SANMLTNESA-N. The full InChI is InChI=1S/C27H27NO2/c29-26(21-30-27-16-15-24-13-7-8-14-25(24)17-27)20-28(18-22-9-3-1-4-10-22)19-23-11-5-2-6-12-23/h1-17,26,29H,18-21H2/t26-/m0/s1.
What are the key properties of (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol?
(2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 397.52 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dibenzylamino)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 1368771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).