(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol

C20H21FN2O2 — CID 100684989

IUPAC(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc([C@](C)(O)CN[C@H](c2ccc(F)cc2)c2cccnc2)o1
InChIInChI=1S/C20H21FN2O2/c1-14-5-10-18(25-14)20(2,24)13-23-19(16-4-3-11-22-12-16)15-6-8-17(21)9-7-15/h3-12,19,23-24H,13H2,1-2H3/t19-,20-/m1/s1
InChIKeyAAZMWAAIUSVAKA-WOJBJXKFSA-N
MW340.40 g/mol
LogP3.71
Rot. Bonds6

About (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol

(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 100684989) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID100684989
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc([C@](C)(O)CN[C@H](c2ccc(F)cc2)c2cccnc2)o1
InChIInChI=1S/C20H21FN2O2/c1-14-5-10-18(25-14)20(2,24)13-23-19(16-4-3-11-22-12-16)15-6-8-17(21)9-7-15/h3-12,19,23-24H,13H2,1-2H3/t19-,20-/m1/s1
InChIKeyAAZMWAAIUSVAKA-WOJBJXKFSA-N
XLogP3.71
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-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

Related Compounds

1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-pyridin-3-yloxybutanamide
CID 111481199
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481480
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407154
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 100684989) is (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc([C@](C)(O)CN[C@H](c2ccc(F)cc2)c2cccnc2)o1.
What is the InChIKey of (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is AAZMWAAIUSVAKA-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-5-10-18(25-14)20(2,24)13-23-19(16-4-3-11-22-12-16)15-6-8-17(21)9-7-15/h3-12,19,23-24H,13H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol?
(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 340.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 100684989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).