(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

C18H18FNO2 — CID 39965978

IUPAC(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2cc(CN[C@H](C)c3ccc(F)cc3)oc12
InChIInChI=1S/C18H18FNO2/c1-12(13-6-8-15(19)9-7-13)20-11-16-10-14-4-3-5-17(21-2)18(14)22-16/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1
InChIKeyNCOMAPZVMMRGCZ-GFCCVEGCSA-N
MW299.35 g/mol
LogP4.43
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 39965978) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID39965978
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2cc(CN[C@H](C)c3ccc(F)cc3)oc12
InChIInChI=1S/C18H18FNO2/c1-12(13-6-8-15(19)9-7-13)20-11-16-10-14-4-3-5-17(21-2)18(14)22-16/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1
InChIKeyNCOMAPZVMMRGCZ-GFCCVEGCSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
CID 62732794
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 113352580
1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 104578623
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899996
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 43764085
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432802
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63967269

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 39965978) is (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is COc1cccc2cc(CN[C@H](C)c3ccc(F)cc3)oc12.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is NCOMAPZVMMRGCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12(13-6-8-15(19)9-7-13)20-11-16-10-14-4-3-5-17(21-2)18(14)22-16/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 299.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 39965978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).