4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline

C22H21FN2O2 — CID 141121071

IUPAC4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
SMILESFc1ccc(N(Cc2cccnc2)c2ccccc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C22H21FN2O2/c23-21-9-8-19(13-22(21)27-20-10-12-26-16-20)25(18-6-2-1-3-7-18)15-17-5-4-11-24-14-17/h1-9,11,13-14,20H,10,12,15-16H2/t20-/m1/s1
InChIKeyYOOYNANHDDFAJQ-HXUWFJFHSA-N
MW364.42 g/mol
LogP4.73
Rot. Bonds6

About 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline

4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 141121071) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID141121071
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
SMILESFc1ccc(N(Cc2cccnc2)c2ccccc2)cc1O[C@@H]1CCOC1
InChIInChI=1S/C22H21FN2O2/c23-21-9-8-19(13-22(21)27-20-10-12-26-16-20)25(18-6-2-1-3-7-18)15-17-5-4-11-24-14-17/h1-9,11,13-14,20H,10,12,15-16H2/t20-/m1/s1
InChIKeyYOOYNANHDDFAJQ-HXUWFJFHSA-N
XLogP4.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-diethyl-4-N-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
CID 10433759
5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxy-N-(pyridin-3-ylmethyl)anilino]-2-(trifluoromethyl)benzoic acid
CID 10323212
3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 22747558
N-(3-chloro-4-fluorophenyl)-3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 10224353
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
3-cyclopentyloxy-4-methoxy-N-[4-(oxolan-2-yloxy)phenyl]-N-(pyridin-3-ylmethyl)aniline
CID 22747709
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 10298288
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
3-[4-(difluoromethoxy)-3-(oxolan-2-yloxy)-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 68950967
3-cyclopentyloxy-4-methoxy-N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)aniline
CID 18453304
4-methoxy-3-(oxolan-3-yloxy)-N-(pyridin-3-ylmethyl)aniline
CID 22747705

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline (CID 141121071) is 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline is Fc1ccc(N(Cc2cccnc2)c2ccccc2)cc1O[C@@H]1CCOC1.
What is the InChIKey of 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is YOOYNANHDDFAJQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-21-9-8-19(13-22(21)27-20-10-12-26-16-20)25(18-6-2-1-3-7-18)15-17-5-4-11-24-14-17/h1-9,11,13-14,20H,10,12,15-16H2/t20-/m1/s1.
What are the key properties of 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 364.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3R)-oxolan-3-yl]oxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 141121071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).