5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline

C18H21FN2O2 — CID 99781783

IUPAC5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
SMILESC[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccncc1
InChIInChI=1S/C18H21FN2O2/c1-13(14-6-8-20-9-7-14)21-17-11-15(19)4-5-18(17)23-12-16-3-2-10-22-16/h4-9,11,13,16,21H,2-3,10,12H2,1H3/t13-,16+/m1/s1
InChIKeyLXVYWXSVJJTCIT-CJNGLKHVSA-N
MW316.38 g/mol
LogP3.95
Rot. Bonds6

About 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline

5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline (PubChem CID 99781783) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
PubChem CID99781783
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline
SMILESC[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccncc1
InChIInChI=1S/C18H21FN2O2/c1-13(14-6-8-20-9-7-14)21-17-11-15(19)4-5-18(17)23-12-16-3-2-10-22-16/h4-9,11,13,16,21H,2-3,10,12H2,1H3/t13-,16+/m1/s1
InChIKeyLXVYWXSVJJTCIT-CJNGLKHVSA-N
XLogP3.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline with MolForge

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Related Compounds

(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022
(2R)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-imidazol-1-ylpropanamide
CID 95616239
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
1-[2-(oxan-2-ylmethoxy)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60577378
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline?
The IUPAC name of 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline (CID 99781783) is 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline.
What is the SMILES notation for 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline?
The canonical SMILES for 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline is C[C@@H](Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccncc1.
What is the InChIKey of 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline?
The InChIKey is LXVYWXSVJJTCIT-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(14-6-8-20-9-7-14)21-17-11-15(19)4-5-18(17)23-12-16-3-2-10-22-16/h4-9,11,13,16,21H,2-3,10,12H2,1H3/t13-,16+/m1/s1.
What are the key properties of 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline?
5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline has a molecular weight of 316.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-pyridin-4-ylethyl]aniline is sourced from PubChem (CID 99781783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).