1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C14H15F2NOS — CID 102840490

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(OC(F)F)cc1)c1ccsc1C
InChIInChI=1S/C14H15F2NOS/c1-9-12(7-8-19-9)13(17-2)10-3-5-11(6-4-10)18-14(15)16/h3-8,13-14,17H,1-2H3
InChIKeyMBIYOTRGJLAWAE-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102840490) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102840490
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1ccc(OC(F)F)cc1)c1ccsc1C
InChIInChI=1S/C14H15F2NOS/c1-9-12(7-8-19-9)13(17-2)10-3-5-11(6-4-10)18-14(15)16/h3-8,13-14,17H,1-2H3
InChIKeyMBIYOTRGJLAWAE-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841861
1-[4-(difluoromethoxy)phenyl]-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852792
1-[4-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852459
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967
1-(3-chloro-4-iodophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 103216562
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484649
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841710
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102840490) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1ccc(OC(F)F)cc1)c1ccsc1C.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is MBIYOTRGJLAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-9-12(7-8-19-9)13(17-2)10-3-5-11(6-4-10)18-14(15)16/h3-8,13-14,17H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 283.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102840490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).