1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine

C14H20FNO2 — CID 63012561

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1cc(F)ccc1OC)C1CCCOC1
InChIInChI=1S/C14H20FNO2/c1-16-14(10-4-3-7-18-9-10)12-8-11(15)5-6-13(12)17-2/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3
InChIKeyQFDHQCOHNOOMEE-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.52
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 63012561) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID63012561
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1cc(F)ccc1OC)C1CCCOC1
InChIInChI=1S/C14H20FNO2/c1-16-14(10-4-3-7-18-9-10)12-8-11(15)5-6-13(12)17-2/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3
InChIKeyQFDHQCOHNOOMEE-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-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine 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

4-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957071
1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62866756
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
CID 107139674
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine (CID 63012561) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(c1cc(F)ccc1OC)C1CCCOC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is QFDHQCOHNOOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-14(10-4-3-7-18-9-10)12-8-11(15)5-6-13(12)17-2/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine 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-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 63012561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).