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

C13H18FNO2 — CID 143195185

IUPAC[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1CC1CC[C@@H](CN)O1
InChIInChI=1S/C13H18FNO2/c1-16-13-5-2-10(14)6-9(13)7-11-3-4-12(8-15)17-11/h2,5-6,11-12H,3-4,7-8,15H2,1H3/t11?,12-/m0/s1
InChIKeyUNRUJFXXAULDMY-KIYNQFGBSA-N
MW239.29 g/mol
LogP1.88
Rot. Bonds4

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

[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine (PubChem CID 143195185) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
PubChem CID143195185
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1CC1CC[C@@H](CN)O1
InChIInChI=1S/C13H18FNO2/c1-16-13-5-2-10(14)6-9(13)7-11-3-4-12(8-15)17-11/h2,5-6,11-12H,3-4,7-8,15H2,1H3/t11?,12-/m0/s1
InChIKeyUNRUJFXXAULDMY-KIYNQFGBSA-N
XLogP1.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
CID 140530635
2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]acetonitrile
CID 140530631
2-[(2R,5S)-5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]ethanamine
CID 44590694
2-[5-[2-(5-fluoro-2-methoxyphenyl)ethyl]oxolan-2-yl]-N-methylethanamine
CID 25258809
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
(2S,5R)-5-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 120786966
2-[(2S,5R)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]acetonitrile
CID 25258804
2-[(2S,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]acetonitrile
CID 67498988
[2-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82117511
2-[(5-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 82389201
2-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 82083610
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine (CID 143195185) is [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine is COc1ccc(F)cc1CC1CC[C@@H](CN)O1.
What is the InChIKey of [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
The InChIKey is UNRUJFXXAULDMY-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13-5-2-10(14)6-9(13)7-11-3-4-12(8-15)17-11/h2,5-6,11-12H,3-4,7-8,15H2,1H3/t11?,12-/m0/s1.
What are the key properties of [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine?
[(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine has a molecular weight of 239.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 143195185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).