1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C14H14F3NOS — CID 115850644

IUPAC1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1sccc1OC
InChIInChI=1S/C14H14F3NOS/c1-18-12(13-11(19-2)6-7-20-13)9-4-3-5-10(8-9)14(15,16)17/h3-8,12,18H,1-2H3
InChIKeyJTILZRFATXMDQC-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115850644) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID115850644
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1sccc1OC
InChIInChI=1S/C14H14F3NOS/c1-18-12(13-11(19-2)6-7-20-13)9-4-3-5-10(8-9)14(15,16)17/h3-8,12,18H,1-2H3
InChIKeyJTILZRFATXMDQC-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81126472
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
[(3-ethylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105326396
1-(3-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 79697009
1-(3-methoxyphenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62791846

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 115850644) is 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JTILZRFATXMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-18-12(13-11(19-2)6-7-20-13)9-4-3-5-10(8-9)14(15,16)17/h3-8,12,18H,1-2H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 301.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115850644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).