N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine

C15H16F3NOS — CID 62916199

IUPACN-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-2-7-19-14(12-6-8-21-10-12)11-4-3-5-13(9-11)20-15(16,17)18/h3-6,8-10,14,19H,2,7H2,1H3
InChIKeyLZBDDSGQBNYFRW-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.74
Rot. Bonds6

About N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine

N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 62916199) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID62916199
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC NameN-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c1-2-7-19-14(12-6-8-21-10-12)11-4-3-5-13(9-11)20-15(16,17)18/h3-6,8-10,14,19H,2,7H2,1H3
InChIKeyLZBDDSGQBNYFRW-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 103516612
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[thiolan-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 105145863
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 104805493
1-[(S)-thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171177341
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
CID 43495365

Frequently Asked Questions

What is the IUPAC name of N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine (CID 62916199) is N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine is CCCNC(c1ccsc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is LZBDDSGQBNYFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c1-2-7-19-14(12-6-8-21-10-12)11-4-3-5-13(9-11)20-15(16,17)18/h3-6,8-10,14,19H,2,7H2,1H3.
What are the key properties of N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 315.36 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62916199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).