(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol

C24H36N2O2 — CID 141092406

IUPAC(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol
SMILESCC(C)(C)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COc1ccccc1
InChIInChI=1S/C24H36N2O2/c1-23(2,3)26-21(16-19-12-8-6-9-13-19)22(27)17-25-24(4,5)18-28-20-14-10-7-11-15-20/h6-15,21-22,25-27H,16-18H2,1-5H3/t21-,22+/m0/s1
InChIKeyJUNWNJGKFMAHLV-FCHUYYIVSA-N
MW384.56 g/mol
LogP3.79
Rot. Bonds10

About (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol

(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol (PubChem CID 141092406) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol
PubChem CID141092406
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol
SMILESCC(C)(C)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COc1ccccc1
InChIInChI=1S/C24H36N2O2/c1-23(2,3)26-21(16-19-12-8-6-9-13-19)22(27)17-25-24(4,5)18-28-20-14-10-7-11-15-20/h6-15,21-22,25-27H,16-18H2,1-5H3/t21-,22+/m0/s1
InChIKeyJUNWNJGKFMAHLV-FCHUYYIVSA-N
XLogP3.79
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
CID 91005637
(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 69361411
tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylbutan-2-ylamino)-1-phenylbutan-2-yl]carbamate
CID 69429687
[(2S,3S)-3-hydroxy-4-(2-phenoxyethylamino)-1-phenylbutan-2-yl]carbamic acid
CID 68831704
N-(2-methyl-1-phenoxypropan-2-yl)tetradecan-1-amine;hydroiodide
CID 175451990
N-(2-methyl-1-phenoxypropan-2-yl)undecan-1-amine;hydroiodide
CID 175451988
[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]carbamic acid
CID 141047745
(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-(2-phenylpropan-2-ylamino)butan-2-ol
CID 164627928
[(2S,3S)-3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]-1-phenylbutan-2-yl] N-tert-butylcarbamate
CID 69425993
tert-butyl N-[(2S,3S)-3-hydroxy-4-[[(3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 57067699
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol (CID 141092406) is (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol is CC(C)(C)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COc1ccccc1.
What is the InChIKey of (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
The InChIKey is JUNWNJGKFMAHLV-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-23(2,3)26-21(16-19-12-8-6-9-13-19)22(27)17-25-24(4,5)18-28-20-14-10-7-11-15-20/h6-15,21-22,25-27H,16-18H2,1-5H3/t21-,22+/m0/s1.
What are the key properties of (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol has a molecular weight of 384.56 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 141092406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).