1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

C12H9ClF3NS — CID 79749216

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H9ClF3NS/c1-17-12(8-4-5-9(13)18-8)6-2-3-7(14)11(16)10(6)15/h2-5,12,17H,1H3
InChIKeyFCULPGZSENHXJB-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.13
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 79749216) has the molecular formula C12H9ClF3NS and a molecular weight of 291.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID79749216
Molecular FormulaC12H9ClF3NS
Molecular Weight291.73 g/mol
Exact Mass291.01
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(Cl)s1)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H9ClF3NS/c1-17-12(8-4-5-9(13)18-8)6-2-3-7(14)11(16)10(6)15/h2-5,12,17H,1H3
InChIKeyFCULPGZSENHXJB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79754690
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
N-[(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 43492027
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850814
1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749290
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(5-chlorothiophen-2-yl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106656247
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 114024428
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 79749216) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1ccc(Cl)s1)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is FCULPGZSENHXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NS/c1-17-12(8-4-5-9(13)18-8)6-2-3-7(14)11(16)10(6)15/h2-5,12,17H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 291.73 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 79749216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).