N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine

C16H16F3NOS — CID 167437528

IUPACN-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCNCC1OCC(c2ccc(C(F)(F)F)cc2)c2sccc21
InChIInChI=1S/C16H16F3NOS/c1-20-8-14-12-6-7-22-15(12)13(9-21-14)10-2-4-11(5-3-10)16(17,18)19/h2-7,13-14,20H,8-9H2,1H3
InChIKeyBIDGMVXJXXZQBY-UHFFFAOYSA-N
MW327.37 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine

N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (PubChem CID 167437528) has the molecular formula C16H16F3NOS and a molecular weight of 327.37 g/mol. Its IUPAC name is N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
PubChem CID167437528
Molecular FormulaC16H16F3NOS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC NameN-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESCNCC1OCC(c2ccc(C(F)(F)F)cc2)c2sccc21
InChIInChI=1S/C16H16F3NOS/c1-20-8-14-12-6-7-22-15(12)13(9-21-14)10-2-4-11(5-3-10)16(17,18)19/h2-7,13-14,20H,8-9H2,1H3
InChIKeyBIDGMVXJXXZQBY-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-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-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 166519253
1-[(4R,7S)-4-(3,4-dichlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 167437563
N-methyl-1-[(1S)-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496662
1-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 17174989
N-methyl-1-spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclobutane]-7-ylmethanamine
CID 165391178
N-methyl-1-[(8S)-spiro[6,8-dihydro-5H-thieno[2,3-c]oxepine-4,1'-cyclopropane]-8-yl]methanamine
CID 171720993
7-[4-(trifluoromethyl)anilino]-6,7-dihydro-5H-thieno[3,2-b]pyran-6-ol
CID 174272818
ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 142603267
N-methyl-1-[3-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 105468357
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The IUPAC name of N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (CID 167437528) is N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is CNCC1OCC(c2ccc(C(F)(F)F)cc2)c2sccc21.
What is the InChIKey of N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The InChIKey is BIDGMVXJXXZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NOS/c1-20-8-14-12-6-7-22-15(12)13(9-21-14)10-2-4-11(5-3-10)16(17,18)19/h2-7,13-14,20H,8-9H2,1H3.
What are the key properties of N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine has a molecular weight of 327.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[7-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is sourced from PubChem (CID 167437528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).