(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine

C18H23FN2O2 — CID 59849354

IUPAC(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine
SMILESCC(C)(C)c1cncc(OC[C@@H](N)COc2ccccc2F)c1
InChIInChI=1S/C18H23FN2O2/c1-18(2,3)13-8-15(10-21-9-13)22-11-14(20)12-23-17-7-5-4-6-16(17)19/h4-10,14H,11-12,20H2,1-3H3/t14-/m1/s1
InChIKeyBOMSCKCMVFJIPK-CQSZACIVSA-N
MW318.39 g/mol
LogP3.30
Rot. Bonds6

About (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine

(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine (PubChem CID 59849354) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine
PubChem CID59849354
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine
SMILESCC(C)(C)c1cncc(OC[C@@H](N)COc2ccccc2F)c1
InChIInChI=1S/C18H23FN2O2/c1-18(2,3)13-8-15(10-21-9-13)22-11-14(20)12-23-17-7-5-4-6-16(17)19/h4-10,14H,11-12,20H2,1-3H3/t14-/m1/s1
InChIKeyBOMSCKCMVFJIPK-CQSZACIVSA-N
XLogP3.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine?
The IUPAC name of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine (CID 59849354) is (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine.
What is the SMILES notation for (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine?
The canonical SMILES for (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine is CC(C)(C)c1cncc(OC[C@@H](N)COc2ccccc2F)c1.
What is the InChIKey of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine?
The InChIKey is BOMSCKCMVFJIPK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-18(2,3)13-8-15(10-21-9-13)22-11-14(20)12-23-17-7-5-4-6-16(17)19/h4-10,14H,11-12,20H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine?
(2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine has a molecular weight of 318.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-tert-butyl-3-pyridinyl)oxy]-3-(2-fluorophenoxy)propan-2-amine is sourced from PubChem (CID 59849354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).