(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine

C13H18FNO2 — CID 62215307

IUPAC(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CCCCO2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-11-6-5-9(8-10(11)14)13(15)12-4-2-3-7-17-12/h5-6,8,12-13H,2-4,7,15H2,1H3
InChIKeyHUIYMFJOJMLBOO-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine

(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine (PubChem CID 62215307) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
PubChem CID62215307
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
SMILESCOc1ccc(C(N)C2CCCCO2)cc1F
InChIInChI=1S/C13H18FNO2/c1-16-11-6-5-9(8-10(11)14)13(15)12-4-2-3-7-17-12/h5-6,8,12-13H,2-4,7,15H2,1H3
InChIKeyHUIYMFJOJMLBOO-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
(4-ethylmorpholin-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 79667211
(2,6-difluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 55048187
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
2-[chloro-(4-methoxy-3-methylphenyl)methyl]oxane
CID 62215181
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine (CID 62215307) is (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine is COc1ccc(C(N)C2CCCCO2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine?
The InChIKey is HUIYMFJOJMLBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-11-6-5-9(8-10(11)14)13(15)12-4-2-3-7-17-12/h5-6,8,12-13H,2-4,7,15H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine?
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine is sourced from PubChem (CID 62215307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).