1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

C14H16FNO2 — CID 102980972

IUPAC1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(F)ccc2C)o1
InChIInChI=1S/C14H16FNO2/c1-10-3-4-11(15)7-14(10)17-9-13-6-5-12(18-13)8-16-2/h3-7,16H,8-9H2,1-2H3
InChIKeyJNUHSAJFAVPSAA-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 102980972) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID102980972
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(F)ccc2C)o1
InChIInChI=1S/C14H16FNO2/c1-10-3-4-11(15)7-14(10)17-9-13-6-5-12(18-13)8-16-2/h3-7,16H,8-9H2,1-2H3
InChIKeyJNUHSAJFAVPSAA-UHFFFAOYSA-N
XLogP3.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran
CID 102990526
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 63036465
1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076714
1-[5-[(2,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 63272857
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453396
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102987684
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 102986614
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
1-[5-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 81326085

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 102980972) is 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(COc2cc(F)ccc2C)o1.
What is the InChIKey of 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is JNUHSAJFAVPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-3-4-11(15)7-14(10)17-9-13-6-5-12(18-13)8-16-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 249.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 102980972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).