(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol

C20H27NO2 — CID 2327359

IUPAC(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-21(4-2)15-19(22)16-23-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,22H,3-4,15-16H2,1-2H3/t19-/m1/s1
InChIKeyDTCMJGIBNCISMP-LJQANCHMSA-N
MW313.44 g/mol
LogP3.50
Rot. Bonds9

About (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol

(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol (PubChem CID 2327359) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
PubChem CID2327359
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-3-21(4-2)15-19(22)16-23-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,22H,3-4,15-16H2,1-2H3/t19-/m1/s1
InChIKeyDTCMJGIBNCISMP-LJQANCHMSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-benzhydryloxy-2-hydroxypropyl)-ethylamino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135670630
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CID 3030850
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
(2R)-1-[benzyl(2-methoxyethyl)amino]-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol
CID 25413639
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-benzhydryloxy-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propan-2-ol
CID 42909807
1-[3-benzhydryloxypropyl(methyl)amino]-3-methoxypropan-2-ol
CID 110194014
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
(2R)-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-[(S)-(4-methylphenyl)-phenylmethoxy]propan-2-ol
CID 7988330
(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
CID 2102012

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol?
The IUPAC name of (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol (CID 2327359) is (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol is CCN(CC)C[C@@H](O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol?
The InChIKey is DTCMJGIBNCISMP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-21(4-2)15-19(22)16-23-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-20,22H,3-4,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol?
(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 2327359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).