1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine

C15H18FNO2 — CID 63937390

IUPAC1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COCc2ccccc2F)oc1C
InChIInChI=1S/C15H18FNO2/c1-11-13(8-17-2)7-14(19-11)10-18-9-12-5-3-4-6-15(12)16/h3-7,17H,8-10H2,1-2H3
InChIKeyHLZZWKUPNWYJKR-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.16
Rot. Bonds6

About 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine

1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine (PubChem CID 63937390) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
PubChem CID63937390
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COCc2ccccc2F)oc1C
InChIInChI=1S/C15H18FNO2/c1-11-13(8-17-2)7-14(19-11)10-18-9-12-5-3-4-6-15(12)16/h3-7,17H,8-10H2,1-2H3
InChIKeyHLZZWKUPNWYJKR-UHFFFAOYSA-N
XLogP3.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953
1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 82006511
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
N-methyl-1-[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methanamine
CID 82956639
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
N-[[5-[(2-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62443396
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-methyl-1-[2-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62456148
N-[[5-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]ethanamine
CID 63935555
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine (CID 63937390) is 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine is CNCc1cc(COCc2ccccc2F)oc1C.
What is the InChIKey of 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine?
The InChIKey is HLZZWKUPNWYJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11-13(8-17-2)7-14(19-11)10-18-9-12-5-3-4-6-15(12)16/h3-7,17H,8-10H2,1-2H3.
What are the key properties of 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine?
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine has a molecular weight of 263.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63937390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).