(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol

C23H24BrNO2 — CID 44583457

IUPAC(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol
SMILESOC[C@H](OCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C23H24BrNO2/c24-21-14-8-7-13-20(21)23(25-15-18-9-3-1-4-10-18)22(16-26)27-17-19-11-5-2-6-12-19/h1-14,22-23,25-26H,15-17H2/t22-,23-/m0/s1
InChIKeyNCTYUTXPCTUAIW-GOTSBHOMSA-N
MW426.35 g/mol
LogP4.86
Rot. Bonds9

About (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol

(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol (PubChem CID 44583457) has the molecular formula C23H24BrNO2 and a molecular weight of 426.35 g/mol. Its IUPAC name is (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol
PubChem CID44583457
Molecular FormulaC23H24BrNO2
Molecular Weight426.35 g/mol
Exact Mass425.10
IUPAC Name(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol
SMILESOC[C@H](OCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C23H24BrNO2/c24-21-14-8-7-13-20(21)23(25-15-18-9-3-1-4-10-18)22(16-26)27-17-19-11-5-2-6-12-19/h1-14,22-23,25-26H,15-17H2/t22-,23-/m0/s1
InChIKeyNCTYUTXPCTUAIW-GOTSBHOMSA-N
XLogP4.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-N-benzyl-1-phenyl-2,3-bis(phenylmethoxy)propan-1-amine
CID 11812191
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
ethyl 2-(benzylamino)-2-(2-bromophenyl)acetate
CID 60992016
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
CID 101207998
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol?
The IUPAC name of (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol (CID 44583457) is (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol?
The canonical SMILES for (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol is OC[C@H](OCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1Br.
What is the InChIKey of (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol?
The InChIKey is NCTYUTXPCTUAIW-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H24BrNO2/c24-21-14-8-7-13-20(21)23(25-15-18-9-3-1-4-10-18)22(16-26)27-17-19-11-5-2-6-12-19/h1-14,22-23,25-26H,15-17H2/t22-,23-/m0/s1.
What are the key properties of (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol?
(2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol has a molecular weight of 426.35 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(benzylamino)-3-(2-bromophenyl)-2-phenylmethoxypropan-1-ol is sourced from PubChem (CID 44583457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).