N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine

C16H16F3NOS — CID 167437518

IUPACN-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine
SMILESCNC[C@@H]1OC[C@H](c2cccc(C(F)(F)F)c2)c2ccsc21
InChIInChI=1S/C16H16F3NOS/c1-20-8-14-15-12(5-6-22-15)13(9-21-14)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14,20H,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyHRZJQFOTGUGTHU-KGLIPLIRSA-N
MW327.37 g/mol
LogP4.19
Rot. Bonds3

About N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine

N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine (PubChem CID 167437518) has the molecular formula C16H16F3NOS and a molecular weight of 327.37 g/mol. Its IUPAC name is N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine
PubChem CID167437518
Molecular FormulaC16H16F3NOS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC NameN-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine
SMILESCNC[C@@H]1OC[C@H](c2cccc(C(F)(F)F)c2)c2ccsc21
InChIInChI=1S/C16H16F3NOS/c1-20-8-14-15-12(5-6-22-15)13(9-21-14)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14,20H,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyHRZJQFOTGUGTHU-KGLIPLIRSA-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

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Related Compounds

Ulotaront
CID 89532783
methyl({[(4R)-4H,6H,7H-thieno[3,2-c]pyran-4-yl]methyl})amine
CID 53237585
(Rac)-SEP-363856
CID 68335002
1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 89532773
1-(4,4-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 167437559
Ethylamine, N,N-dimethyl-2-(phenyl-(2'-thienyl)methoxy)-, hydrochloride
CID 45381
1-(5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 178313545
1-[5-(methoxymethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 178314040
3-(1-Benzothiophen-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
CID 18793408
N-[1-(1-benzothiophen-3-yl)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]propan-2-yl]acetamide
CID 19003164
1-(1-Benzothiophen-3-yl)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]propan-2-amine;hydrochloride
CID 19003170
1-(1-Benzothiophen-3-yl)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]propan-2-amine
CID 19003171

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine?
The IUPAC name of N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine (CID 167437518) is N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine?
The canonical SMILES for N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine is CNC[C@@H]1OC[C@H](c2cccc(C(F)(F)F)c2)c2ccsc21.
What is the InChIKey of N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine?
The InChIKey is HRZJQFOTGUGTHU-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H16F3NOS/c1-20-8-14-15-12(5-6-22-15)13(9-21-14)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14,20H,8-9H2,1H3/t13-,14+/m1/s1.
What are the key properties of N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine?
N-methyl-1-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-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-[(4R,7S)-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine is sourced from PubChem (CID 167437518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).