1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine

C20H20FNO2 — CID 11393202

IUPAC1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccc(OCc3cccc(F)c3)cc2)o1
InChIInChI=1S/C20H20FNO2/c1-15-5-8-20(24-15)13-22-12-16-6-9-19(10-7-16)23-14-17-3-2-4-18(21)11-17/h2-11,22H,12-14H2,1H3
InChIKeyDDMAOJSHFADFCH-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.60
Rot. Bonds7

About 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 11393202) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID11393202
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccc(OCc3cccc(F)c3)cc2)o1
InChIInChI=1S/C20H20FNO2/c1-15-5-8-20(24-15)13-22-12-16-6-9-19(10-7-16)23-14-17-3-2-4-18(21)11-17/h2-11,22H,12-14H2,1H3
InChIKeyDDMAOJSHFADFCH-UHFFFAOYSA-N
XLogP4.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 23072532
N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 42485314
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 11255511
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-(oxan-2-yl)methanamine
CID 11301932
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
CID 173136655
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43123260

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 11393202) is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCc2ccc(OCc3cccc(F)c3)cc2)o1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is DDMAOJSHFADFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-15-5-8-20(24-15)13-22-12-16-6-9-19(10-7-16)23-14-17-3-2-4-18(21)11-17/h2-11,22H,12-14H2,1H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 325.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 11393202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).