1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

C14H16FNOS — CID 65432845

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1c(F)cccc1OC
InChIInChI=1S/C14H16FNOS/c1-9-7-8-12(18-9)14(16-2)13-10(15)5-4-6-11(13)17-3/h4-8,14,16H,1-3H3
InChIKeyQRVMKFIBRMIHSX-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 65432845) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID65432845
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1c(F)cccc1OC
InChIInChI=1S/C14H16FNOS/c1-9-7-8-12(18-9)14(16-2)13-10(15)5-4-6-11(13)17-3/h4-8,14,16H,1-3H3
InChIKeyQRVMKFIBRMIHSX-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114558866
1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 54880468
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 107513669
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81477386
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480464
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434782
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 65432845) is 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)c1c(F)cccc1OC.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is QRVMKFIBRMIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9-7-8-12(18-9)14(16-2)13-10(15)5-4-6-11(13)17-3/h4-8,14,16H,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 265.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 65432845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).