N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine

C15H18FNO2 — CID 104791634

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCOc1cccc(CNC(C)Cc2ccco2)c1F
InChIInChI=1S/C15H18FNO2/c1-11(9-13-6-4-8-19-13)17-10-12-5-3-7-14(18-2)15(12)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyKUJWIZYDFOHCBH-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.15
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 104791634) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID104791634
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCOc1cccc(CNC(C)Cc2ccco2)c1F
InChIInChI=1S/C15H18FNO2/c1-11(9-13-6-4-8-19-13)17-10-12-5-3-7-14(18-2)15(12)16/h3-8,11,17H,9-10H2,1-2H3
InChIKeyKUJWIZYDFOHCBH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259587
4-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]butan-2-amine
CID 104794935
N-[(2-fluoro-3-methoxyphenyl)methyl]hexan-2-amine
CID 113453549
methyl 2-[2-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenyl]acetate
CID 115461702
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-5-methoxyaniline
CID 115413933
[1-(2-fluoro-3-methoxyphenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105334219
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43432891
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
1-(furan-2-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43783211
1-(furan-2-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]propan-2-amine
CID 62475299
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine (CID 104791634) is N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine is COc1cccc(CNC(C)Cc2ccco2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is KUJWIZYDFOHCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(9-13-6-4-8-19-13)17-10-12-5-3-7-14(18-2)15(12)16/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 104791634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).