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

C16H24F2N2O — CID 69148039

IUPAC(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N2O/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/t14-,15+/m0/s1
InChIKeyDDJDDLICDUHCFL-LSDHHAIUSA-N
MW298.38 g/mol
LogP2.08
Rot. Bonds6

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

(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol (PubChem CID 69148039) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol
PubChem CID69148039
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N2O/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/t14-,15+/m0/s1
InChIKeyDDJDDLICDUHCFL-LSDHHAIUSA-N
XLogP2.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol (CID 69148039) is (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol is 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?
The InChIKey is DDJDDLICDUHCFL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24F2N2O/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/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol?
(2R,3S)-3-amino-1-[(4,4-difluorocyclohexyl)amino]-4-phenylbutan-2-ol has a molecular weight of 298.38 g/mol, XLogP of 2.08, 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 is sourced from PubChem (CID 69148039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).