[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine

C15H22FNO2 — CID 44590726

IUPAC[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1
InChIInChI=1S/C15H22FNO2/c1-18-15-8-5-12(16)9-11(15)3-2-4-13-6-7-14(10-17)19-13/h5,8-9,13-14H,2-4,6-7,10,17H2,1H3/t13-,14+/m0/s1
InChIKeyBWBCTVUBHWYIEP-UONOGXRCSA-N
MW267.34 g/mol
LogP2.66
Rot. Bonds6

About [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine

[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine (PubChem CID 44590726) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
PubChem CID44590726
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
SMILESCOc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1
InChIInChI=1S/C15H22FNO2/c1-18-15-8-5-12(16)9-11(15)3-2-4-13-6-7-14(10-17)19-13/h5,8-9,13-14H,2-4,6-7,10,17H2,1H3/t13-,14+/m0/s1
InChIKeyBWBCTVUBHWYIEP-UONOGXRCSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine (CID 44590726) is [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine is COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1.
What is the InChIKey of [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine?
The InChIKey is BWBCTVUBHWYIEP-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-18-15-8-5-12(16)9-11(15)3-2-4-13-6-7-14(10-17)19-13/h5,8-9,13-14H,2-4,6-7,10,17H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine?
[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine has a molecular weight of 267.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 44590726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).