1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine

C12H16F3NOS — CID 112745561

IUPAC1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
SMILESCNC(c1cscc1C(F)(F)F)C1(OC)CCC1
InChIInChI=1S/C12H16F3NOS/c1-16-10(11(17-2)4-3-5-11)8-6-18-7-9(8)12(13,14)15/h6-7,10,16H,3-5H2,1-2H3
InChIKeyXSYXIPZVWOYJOZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.60
Rot. Bonds4

About 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine

1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine (PubChem CID 112745561) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
PubChem CID112745561
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
SMILESCNC(c1cscc1C(F)(F)F)C1(OC)CCC1
InChIInChI=1S/C12H16F3NOS/c1-16-10(11(17-2)4-3-5-11)8-6-18-7-9(8)12(13,14)15/h6-7,10,16H,3-5H2,1-2H3
InChIKeyXSYXIPZVWOYJOZ-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-3-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761996
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
1-(2,6-difluorophenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611051
1-(cyclohexen-1-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 106654422
1-(1-benzothiophen-7-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762819
1-(2,6-difluorophenyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770190
N-methyl-1-thiophen-3-yl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine
CID 112745538
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(3,4-dihydro-2H-chromen-8-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114746173
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116762928

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine (CID 112745561) is 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine is CNC(c1cscc1C(F)(F)F)C1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
The InChIKey is XSYXIPZVWOYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-16-10(11(17-2)4-3-5-11)8-6-18-7-9(8)12(13,14)15/h6-7,10,16H,3-5H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine?
1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine has a molecular weight of 279.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 112745561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).