(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol

C14H22FNO — CID 59958915

IUPAC(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
SMILESCC[C@](O)(c1cccc(F)c1)[C@H](C)CN(C)C
InChIInChI=1S/C14H22FNO/c1-5-14(17,11(2)10-16(3)4)12-7-6-8-13(15)9-12/h6-9,11,17H,5,10H2,1-4H3/t11-,14-/m1/s1
InChIKeyCDGKBTXOZWAVEE-BXUZGUMPSA-N
MW239.33 g/mol
LogP2.62
Rot. Bonds5

About (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol

(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol (PubChem CID 59958915) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
PubChem CID59958915
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
SMILESCC[C@](O)(c1cccc(F)c1)[C@H](C)CN(C)C
InChIInChI=1S/C14H22FNO/c1-5-14(17,11(2)10-16(3)4)12-7-6-8-13(15)9-12/h6-9,11,17H,5,10H2,1-4H3/t11-,14-/m1/s1
InChIKeyCDGKBTXOZWAVEE-BXUZGUMPSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol?
The IUPAC name of (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol (CID 59958915) is (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol.
What is the SMILES notation for (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol?
The canonical SMILES for (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol is CC[C@](O)(c1cccc(F)c1)[C@H](C)CN(C)C.
What is the InChIKey of (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol?
The InChIKey is CDGKBTXOZWAVEE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-14(17,11(2)10-16(3)4)12-7-6-8-13(15)9-12/h6-9,11,17H,5,10H2,1-4H3/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol?
(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol has a molecular weight of 239.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 59958915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).