(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol

C19H24F2N2O — CID 68608905

IUPAC(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol
SMILESCC[C@@H](NC[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C19H24F2N2O/c1-2-18(14-6-4-3-5-7-14)23-12-19(24)17(22)10-13-8-15(20)11-16(21)9-13/h3-9,11,17-19,23-24H,2,10,12,22H2,1H3/t17-,18+,19+/m0/s1
InChIKeyQCQZFDMLKZCXGW-IPMKNSEASA-N
MW334.41 g/mol
LogP2.94
Rot. Bonds8

About (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol

(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol (PubChem CID 68608905) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol
PubChem CID68608905
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol
SMILESCC[C@@H](NC[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C19H24F2N2O/c1-2-18(14-6-4-3-5-7-14)23-12-19(24)17(22)10-13-8-15(20)11-16(21)9-13/h3-9,11,17-19,23-24H,2,10,12,22H2,1H3/t17-,18+,19+/m0/s1
InChIKeyQCQZFDMLKZCXGW-IPMKNSEASA-N
XLogP2.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol with MolForge

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Related Compounds

(2S)-2-[[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 68611708
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-(2-phenylpropan-2-ylamino)butan-2-ol
CID 68609026
(2R,3S)-3-amino-4-phenyl-1-[1-(1H-pyrazol-4-yl)propylamino]butan-2-ol
CID 66614400
2-[[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 151933691
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487288
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1R)-1-phenylpropyl]amino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 68611406
(2S)-2-[[(2S,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-N-(2-methylpropyl)-3-phenylmethoxypropanamide
CID 90996076
(2R)-3-amino-4-(3,5-difluorophenyl)-1-[[1-(3-ethylphenyl)cyclopropyl]amino]butan-2-ol
CID 143107577
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487215
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol (CID 68608905) is (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol is CC[C@@H](NC[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol?
The InChIKey is QCQZFDMLKZCXGW-IPMKNSEASA-N. The full InChI is InChI=1S/C19H24F2N2O/c1-2-18(14-6-4-3-5-7-14)23-12-19(24)17(22)10-13-8-15(20)11-16(21)9-13/h3-9,11,17-19,23-24H,2,10,12,22H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol?
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol has a molecular weight of 334.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[(1R)-1-phenylpropyl]amino]butan-2-ol is sourced from PubChem (CID 68608905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).