(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine

C26H31NO2 — CID 102123059

IUPAC(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine
SMILESCC[C@](C)(N)CO[C@H](c1ccccc1)[C@H](OCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-3-26(2,27)20-29-25(23-17-11-6-12-18-23)24(22-15-9-5-10-16-22)28-19-21-13-7-4-8-14-21/h4-18,24-25H,3,19-20,27H2,1-2H3/t24-,25-,26+/m1/s1
InChIKeyLSOJYPWVXNYEIN-CYXNTTPDSA-N
MW389.54 g/mol
LogP5.83
Rot. Bonds10

About (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine

(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine (PubChem CID 102123059) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine
PubChem CID102123059
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine
SMILESCC[C@](C)(N)CO[C@H](c1ccccc1)[C@H](OCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-3-26(2,27)20-29-25(23-17-11-6-12-18-23)24(22-15-9-5-10-16-22)28-19-21-13-7-4-8-14-21/h4-18,24-25H,3,19-20,27H2,1-2H3/t24-,25-,26+/m1/s1
InChIKeyLSOJYPWVXNYEIN-CYXNTTPDSA-N
XLogP5.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine with MolForge

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Related Compounds

1-(2-amino-2-methylbutoxy)-3-phenylmethoxypropan-2-ol
CID 106940105
ditert-butyl 2-[(1R,2S)-1-hydroxy-2-phenyl-2-phenylmethoxyethyl]propanedioate
CID 10972261
N-[(1R,2S)-1,2-diphenyl-2-phenylmethoxyethyl]propan-2-amine
CID 15722769
2,2-difluoro-1-phenylmethoxybutan-1-amine
CID 54533469
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809
benzhydryloxymethylbenzene
CID 11437288
benzyl 2-phenyl-2-propoxyacetate
CID 57015298
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
3-phenylmethoxypentane-1-thiol
CID 21429433
hexan-3-yloxymethylbenzene
CID 20782034
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine?
The IUPAC name of (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine (CID 102123059) is (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine?
The canonical SMILES for (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine is CC[C@](C)(N)CO[C@H](c1ccccc1)[C@H](OCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine?
The InChIKey is LSOJYPWVXNYEIN-CYXNTTPDSA-N. The full InChI is InChI=1S/C26H31NO2/c1-3-26(2,27)20-29-25(23-17-11-6-12-18-23)24(22-15-9-5-10-16-22)28-19-21-13-7-4-8-14-21/h4-18,24-25H,3,19-20,27H2,1-2H3/t24-,25-,26+/m1/s1.
What are the key properties of (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine?
(2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine has a molecular weight of 389.54 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R,2R)-1,2-diphenyl-2-phenylmethoxyethoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 102123059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).