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

C13H18FNO2 — CID 83824709

IUPAC(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
SMILESCOc1c(F)cccc1C(N)C1CCOCC1
InChIInChI=1S/C13H18FNO2/c1-16-13-10(3-2-4-11(13)14)12(15)9-5-7-17-8-6-9/h2-4,9,12H,5-8,15H2,1H3
InChIKeyVIHOWBOFVODUPV-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.26
Rot. Bonds3

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

(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine (PubChem CID 83824709) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
PubChem CID83824709
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
SMILESCOc1c(F)cccc1C(N)C1CCOCC1
InChIInChI=1S/C13H18FNO2/c1-16-13-10(3-2-4-11(13)14)12(15)9-5-7-17-8-6-9/h2-4,9,12H,5-8,15H2,1H3
InChIKeyVIHOWBOFVODUPV-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
(R)-(3-fluoro-2-methylphenyl)-(oxan-4-yl)methanamine
CID 131552715
(2-fluorophenyl)-(oxan-4-yl)methanamine
CID 63934888
(S)-(2,3-difluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241038
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methanamine
CID 171246211
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine (CID 83824709) is (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine is COc1c(F)cccc1C(N)C1CCOCC1.
What is the InChIKey of (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine?
The InChIKey is VIHOWBOFVODUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-13-10(3-2-4-11(13)14)12(15)9-5-7-17-8-6-9/h2-4,9,12H,5-8,15H2,1H3.
What are the key properties of (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine?
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine has a molecular weight of 239.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 83824709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).