N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine

C13H14FNO2 — CID 65433242

IUPACN-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCOc1cccc(F)c1CNCc1ccco1
InChIInChI=1S/C13H14FNO2/c1-16-13-6-2-5-12(14)11(13)9-15-8-10-4-3-7-17-10/h2-7,15H,8-9H2,1H3
InChIKeyXJTJPNNZWRAIIM-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine

N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 65433242) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
PubChem CID65433242
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC NameN-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
SMILESCOc1cccc(F)c1CNCc1ccco1
InChIInChI=1S/C13H14FNO2/c1-16-13-6-2-5-12(14)11(13)9-15-8-10-4-3-7-17-10/h2-7,15H,8-9H2,1H3
InChIKeyXJTJPNNZWRAIIM-UHFFFAOYSA-N
XLogP2.72
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 6464080
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331655
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
4-[(furan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 24746812
N-[[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(furan-2-yl)methanamine
CID 66534705
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine (CID 65433242) is N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine is COc1cccc(F)c1CNCc1ccco1.
What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is XJTJPNNZWRAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-16-13-6-2-5-12(14)11(13)9-15-8-10-4-3-7-17-10/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine?
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 235.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 65433242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).