1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

C14H15F2NOS — CID 54880468

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C14H15F2NOS/c1-8-4-5-12(19-8)14(17-2)13-10(15)6-9(18-3)7-11(13)16/h4-7,14,17H,1-3H3
InChIKeyWPZUXQAGFNUMPQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.65
Rot. Bonds4

About 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 54880468) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID54880468
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C14H15F2NOS/c1-8-4-5-12(19-8)14(17-2)13-10(15)6-9(18-3)7-11(13)16/h4-7,14,17H,1-3H3
InChIKeyWPZUXQAGFNUMPQ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 65432845
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114558866
1-(5-chloro-2-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60964483
1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 54880479
1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
[(4-bromo-2,6-difluorophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318829
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459
1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60965991
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81477386
2-[bromo-(2,4,6-trimethoxyphenyl)methyl]-5-methylthiophene
CID 61096894

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 54880468) is 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)c1c(F)cc(OC)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is WPZUXQAGFNUMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-8-4-5-12(19-8)14(17-2)13-10(15)6-9(18-3)7-11(13)16/h4-7,14,17H,1-3H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 283.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 54880468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).