(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol

C15H24FNO — CID 99822491

IUPAC(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol
SMILESC[C@@H](O)CCN[C@H](C)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-11(18)9-10-17-12(2)15(3,4)13-5-7-14(16)8-6-13/h5-8,11-12,17-18H,9-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyRQHYJMVOVCFXCY-VXGBXAGGSA-N
MW253.36 g/mol
LogP2.85
Rot. Bonds6

About (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol

(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol (PubChem CID 99822491) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol
PubChem CID99822491
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol
SMILESC[C@@H](O)CCN[C@H](C)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-11(18)9-10-17-12(2)15(3,4)13-5-7-14(16)8-6-13/h5-8,11-12,17-18H,9-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyRQHYJMVOVCFXCY-VXGBXAGGSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol?
The IUPAC name of (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol (CID 99822491) is (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol is C[C@@H](O)CCN[C@H](C)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol?
The InChIKey is RQHYJMVOVCFXCY-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(18)9-10-17-12(2)15(3,4)13-5-7-14(16)8-6-13/h5-8,11-12,17-18H,9-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol?
(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol has a molecular weight of 253.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol is sourced from PubChem (CID 99822491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).