1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

C14H16FNO2S — CID 81127081

IUPAC1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)c1sccc1OC
InChIInChI=1S/C14H16FNO2S/c1-16-13(14-12(18-3)6-7-19-14)10-8-9(15)4-5-11(10)17-2/h4-8,13,16H,1-3H3
InChIKeyVXUHBMFWIBCZRD-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.21
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine

1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 81127081) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID81127081
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1OC)c1sccc1OC
InChIInChI=1S/C14H16FNO2S/c1-16-13(14-12(18-3)6-7-19-14)10-8-9(15)4-5-11(10)17-2/h4-8,13,16H,1-3H3
InChIKeyVXUHBMFWIBCZRD-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122406
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
[(2,4-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303283
N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 79985221
1-(4-methoxy-2-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127903
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127998
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485651

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine (CID 81127081) is 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1cc(F)ccc1OC)c1sccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is VXUHBMFWIBCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-16-13(14-12(18-3)6-7-19-14)10-8-9(15)4-5-11(10)17-2/h4-8,13,16H,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine?
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 281.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81127081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).