1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

C15H17F2NS — CID 105027085

IUPAC1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H17F2NS/c1-4-10-7-8-19-15(10)14(18-3)12-11(16)6-5-9(2)13(12)17/h5-8,14,18H,4H2,1-3H3
InChIKeySOKLZTBPOHCHQL-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.21
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 105027085) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID105027085
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H17F2NS/c1-4-10-7-8-19-15(10)14(18-3)12-11(16)6-5-9(2)13(12)17/h5-8,14,18H,4H2,1-3H3
InChIKeySOKLZTBPOHCHQL-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
(3-bromo-2,6-difluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106944602
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991296
1-(cyclopenten-1-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985467
1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047457
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(4-tert-butylthiadiazol-5-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105175903
N-[(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302882
2-[bromo-(4-fluoro-3,5-dimethylphenyl)methyl]-3-ethylthiophene
CID 79976512
1-(2,6-difluoro-3-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105027103

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (CID 105027085) is 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccsc1C(NC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is SOKLZTBPOHCHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-4-10-7-8-19-15(10)14(18-3)12-11(16)6-5-9(2)13(12)17/h5-8,14,18H,4H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105027085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).