1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C14H20FNO2 — CID 82807411

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cccc(OC)c1F)C1CCOCC1
InChIInChI=1S/C14H20FNO2/c1-16-14(10-6-8-18-9-7-10)11-4-3-5-12(17-2)13(11)15/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyZHGBEFLLIUCTEF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.52
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 82807411) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID82807411
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cccc(OC)c1F)C1CCOCC1
InChIInChI=1S/C14H20FNO2/c1-16-14(10-6-8-18-9-7-10)11-4-3-5-12(17-2)13(11)15/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyZHGBEFLLIUCTEF-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

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(2-fluoro-4,5-dimethoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62866756
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147214
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
[3-bicyclo[3.1.0]hexanyl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329307
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 82807411) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1cccc(OC)c1F)C1CCOCC1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is ZHGBEFLLIUCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-16-14(10-6-8-18-9-7-10)11-4-3-5-12(17-2)13(11)15/h3-5,10,14,16H,6-9H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-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-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 82807411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).