3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine

C14H20FNO2 — CID 106469229

IUPAC3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1cccc(OC)c1F
InChIInChI=1S/C14H20FNO2/c1-16-12-6-7-18-9-11(12)8-10-4-3-5-13(17-2)14(10)15/h3-5,11-12,16H,6-9H2,1-2H3
InChIKeyCHMRCWHMXUIBOX-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.00
Rot. Bonds4

About 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine

3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine (PubChem CID 106469229) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
PubChem CID106469229
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1Cc1cccc(OC)c1F
InChIInChI=1S/C14H20FNO2/c1-16-12-6-7-18-9-11(12)8-10-4-3-5-13(17-2)14(10)15/h3-5,11-12,16H,6-9H2,1-2H3
InChIKeyCHMRCWHMXUIBOX-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
(3R,4S)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167910
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167911
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
3-[(2-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 71648111
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
1-[(2-bromocyclohexyl)methyl]-2-fluoro-3-methoxybenzene
CID 104794444
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 104794025
N-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104795135

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine (CID 106469229) is 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine is CNC1CCOCC1Cc1cccc(OC)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine?
The InChIKey is CHMRCWHMXUIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-12-6-7-18-9-11(12)8-10-4-3-5-13(17-2)14(10)15/h3-5,11-12,16H,6-9H2,1-2H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine?
3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine has a molecular weight of 253.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 106469229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).