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

C21H30N2O2 — CID 69361411

IUPAC(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
SMILESCC(C)(COCc1ccccc1)NC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C21H30N2O2/c1-21(2,16-25-15-18-11-7-4-8-12-18)23-14-20(24)19(22)13-17-9-5-3-6-10-17/h3-12,19-20,23-24H,13-16,22H2,1-2H3/t19-,20+/m0/s1
InChIKeyWUDRGOVYPCBXNY-VQTJNVASSA-N
MW342.48 g/mol
LogP2.50
Rot. Bonds10

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

(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol (PubChem CID 69361411) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
PubChem CID69361411
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
SMILESCC(C)(COCc1ccccc1)NC[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C21H30N2O2/c1-21(2,16-25-15-18-11-7-4-8-12-18)23-14-20(24)19(22)13-17-9-5-3-6-10-17/h3-12,19-20,23-24H,13-16,22H2,1-2H3/t19-,20+/m0/s1
InChIKeyWUDRGOVYPCBXNY-VQTJNVASSA-N
XLogP2.50
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
CID 91005637
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
N-(2-methoxyethyl)-2-methyl-1-phenylmethoxypropan-2-amine
CID 131036808
(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
CID 142662271
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
(2R,3S)-3-amino-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
CID 142242604
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2R,3S)-3-(tert-butylamino)-1-[(2-methyl-1-phenoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 141092406
(2S)-3-amino-1-[(4-methylphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662276
(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
CID 69358318
(2R,3S)-3-amino-1-[(3-tert-butylphenyl)methylamino]-4-phenylbutan-2-ol
CID 59569831

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol (CID 69361411) is (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol is CC(C)(COCc1ccccc1)NC[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
The InChIKey is WUDRGOVYPCBXNY-VQTJNVASSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-21(2,16-25-15-18-11-7-4-8-12-18)23-14-20(24)19(22)13-17-9-5-3-6-10-17/h3-12,19-20,23-24H,13-16,22H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol?
(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol has a molecular weight of 342.48 g/mol, XLogP of 2.50, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol is sourced from PubChem (CID 69361411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).