[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine

C12H16FNO2 — CID 140530635

IUPAC[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H16FNO2/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2,4,6,9,12H,3,5,7,14H2,1H3/t9-,12+/m1/s1
InChIKeyAZMKBJHIXZCVNL-SKDRFNHKSA-N
MW225.26 g/mol
LogP2.01
Rot. Bonds3

About [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine

[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine (PubChem CID 140530635) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
PubChem CID140530635
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H16FNO2/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2,4,6,9,12H,3,5,7,14H2,1H3/t9-,12+/m1/s1
InChIKeyAZMKBJHIXZCVNL-SKDRFNHKSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
CID 143195185
2-[(2S,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]acetonitrile
CID 67498988
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
2-[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethanamine
CID 44590694
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]acetonitrile
CID 140530631
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one
CID 82158890
[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82117511
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120789983
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
CID 25258809

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine (CID 140530635) is [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine is COc1ccc(F)cc1[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
The InChIKey is AZMKBJHIXZCVNL-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2,4,6,9,12H,3,5,7,14H2,1H3/t9-,12+/m1/s1.
What are the key properties of [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine?
[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine has a molecular weight of 225.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 140530635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).