(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride

C16H26Cl2F2N2O — CID 69359494

IUPAC(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
SMILESCl.Cl.N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N2O.2ClH/c17-16(18)8-6-13(7-9-16)20-11-15(21)14(19)10-12-4-2-1-3-5-12;;/h1-5,13-15,20-21H,6-11,19H2;2*1H/t14-,15+;;/m0../s1
InChIKeyHRYVXIBKFZNTOO-FZMMWMHASA-N
MW371.30 g/mol
LogP2.93
Rot. Bonds6

About (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride

(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride (PubChem CID 69359494) has the molecular formula C16H26Cl2F2N2O and a molecular weight of 371.30 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
PubChem CID69359494
Molecular FormulaC16H26Cl2F2N2O
Molecular Weight371.30 g/mol
Exact Mass370.14
IUPAC Name(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
SMILESCl.Cl.N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N2O.2ClH/c17-16(18)8-6-13(7-9-16)20-11-15(21)14(19)10-12-4-2-1-3-5-12;;/h1-5,13-15,20-21H,6-11,19H2;2*1H/t14-,15+;;/m0../s1
InChIKeyHRYVXIBKFZNTOO-FZMMWMHASA-N
XLogP2.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride with MolForge

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Related Compounds

alpha-((Cyclohexylamino)methyl)benzenemethanol
CID 23064
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
2,4-Diamino-1,5-diphenyl-3-hydroxypentane
CID 452307
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
2-(4-Phenylbutan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 44522412
(1R)-2-[[(2R)-1-(4-methylphenyl)propan-2-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 44522709
(2S,3S)-1-(tert-butylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
CID 164620627
(2R,3S)-1-(2,2-dimethylpropylamino)-3-(2,2-diphenylethylamino)-4-phenylbutan-2-ol
CID 164622120
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
Drobuline
CID 60890

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
The IUPAC name of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride (CID 69359494) is (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride.
What is the SMILES notation for (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
The canonical SMILES for (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride is Cl.Cl.N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC(F)(F)CC1.
What is the InChIKey of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
The InChIKey is HRYVXIBKFZNTOO-FZMMWMHASA-N. The full InChI is InChI=1S/C16H24F2N2O.2ClH/c17-16(18)8-6-13(7-9-16)20-11-15(21)14(19)10-12-4-2-1-3-5-12;;/h1-5,13-15,20-21H,6-11,19H2;2*1H/t14-,15+;;/m0../s1.
What are the key properties of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride has a molecular weight of 371.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride is sourced from PubChem (CID 69359494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).