1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine

C16H18FNO3 — CID 43589963

IUPAC1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H18FNO3/c1-18-10-11-6-12(17)4-5-16(11)21-15-8-13(19-2)7-14(9-15)20-3/h4-9,18H,10H2,1-3H3
InChIKeySWXZQURQBBWLNE-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.35
Rot. Bonds6

About 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine

1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 43589963) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID43589963
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H18FNO3/c1-18-10-11-6-12(17)4-5-16(11)21-15-8-13(19-2)7-14(9-15)20-3/h4-9,18H,10H2,1-3H3
InChIKeySWXZQURQBBWLNE-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 65201228
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314125

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 43589963) is 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Oc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is SWXZQURQBBWLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-18-10-11-6-12(17)4-5-16(11)21-15-8-13(19-2)7-14(9-15)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 291.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 43589963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).