1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine

C14H20FNO2 — CID 79365083

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-16-9-11-4-3-7-18-14(11)10-5-6-13(17-2)12(15)8-10/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3
InChIKeyYVZARDRBTCXFRJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine

1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine (PubChem CID 79365083) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
PubChem CID79365083
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-16-9-11-4-3-7-18-14(11)10-5-6-13(17-2)12(15)8-10/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3
InChIKeyYVZARDRBTCXFRJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
CID 79365715
2-(3,4-dimethoxyphenyl)oxan-3-amine
CID 79365049
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol
CID 79373941
3-(chloromethyl)-2-(3-fluoro-4-methylphenyl)oxane
CID 79373688
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
CID 104824119
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-(4-bromo-3-fluorophenyl)oxan-3-yl]methyl]propan-1-amine
CID 81440274
N-[[2-(3-chloro-4-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 81156218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine (CID 79365083) is 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine is CNCC1CCCOC1c1ccc(OC)c(F)c1.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine?
The InChIKey is YVZARDRBTCXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-9-11-4-3-7-18-14(11)10-5-6-13(17-2)12(15)8-10/h5-6,8,11,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine?
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79365083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).