N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine

C15H16F3NS — CID 102753433

IUPACN-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H16F3NS/c1-3-19-14(13-5-4-8-20-13)12-7-6-11(9-10(12)2)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyFHBBNBMSRPLSHM-UHFFFAOYSA-N
MW299.36 g/mol
LogP4.77
Rot. Bonds4

About N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine

N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine (PubChem CID 102753433) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
PubChem CID102753433
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H16F3NS/c1-3-19-14(13-5-4-8-20-13)12-7-6-11(9-10(12)2)15(16,17)18/h4-9,14,19H,3H2,1-2H3
InChIKeyFHBBNBMSRPLSHM-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105100554
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
N-[(2-methylfuran-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102755153
N-[(2-iodo-3-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114030052
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[1H-imidazol-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754769
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(2H-triazol-4-yl)methyl]ethanamine
CID 102754825
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-[(2-chloro-4,5-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 107476439

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine (CID 102753433) is N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine?
The InChIKey is FHBBNBMSRPLSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-3-19-14(13-5-4-8-20-13)12-7-6-11(9-10(12)2)15(16,17)18/h4-9,14,19H,3H2,1-2H3.
What are the key properties of N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine?
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 102753433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).