1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C14H20FNO — CID 63935282

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cc(F)ccc1C)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-10-3-4-12(15)9-13(10)14(16-2)11-5-7-17-8-6-11/h3-4,9,11,14,16H,5-8H2,1-2H3
InChIKeyDXXUYIONUHCHRB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.82
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 63935282) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID63935282
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1cc(F)ccc1C)C1CCOCC1
InChIInChI=1S/C14H20FNO/c1-10-3-4-12(15)9-13(10)14(16-2)11-5-7-17-8-6-11/h3-4,9,11,14,16H,5-8H2,1-2H3
InChIKeyDXXUYIONUHCHRB-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851821
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147146
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147269
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
[(2-chloro-5-fluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105397846
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 82807411

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 63935282) is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1cc(F)ccc1C)C1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is DXXUYIONUHCHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-3-4-12(15)9-13(10)14(16-2)11-5-7-17-8-6-11/h3-4,9,11,14,16H,5-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63935282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).