cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

C16H16F3NS — CID 66475661

IUPACcyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(C(N)C2CC2)s1
InChIInChI=1S/C16H16F3NS/c1-9-2-5-11(16(17,18)19)8-12(9)13-6-7-14(21-13)15(20)10-3-4-10/h2,5-8,10,15H,3-4,20H2,1H3
InChIKeyVZDOBCHEBIZCJT-UHFFFAOYSA-N
MW311.37 g/mol
LogP5.15
Rot. Bonds3

About cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine

cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (PubChem CID 66475661) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
PubChem CID66475661
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Namecyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
SMILESCc1ccc(C(F)(F)F)cc1-c1ccc(C(N)C2CC2)s1
InChIInChI=1S/C16H16F3NS/c1-9-2-5-11(16(17,18)19)8-12(9)13-6-7-14(21-13)15(20)10-3-4-10/h2,5-8,10,15H,3-4,20H2,1H3
InChIKeyVZDOBCHEBIZCJT-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.37
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[5-[2-fluoro-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 63037880
[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43806601
1-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 66475853
[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]-cyclopropylmethanamine
CID 43331838
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43363459
(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162179
cyclopropyl-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 55119222
[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81289491
[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 54955892

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The IUPAC name of cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine (CID 66475661) is cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is Cc1ccc(C(F)(F)F)cc1-c1ccc(C(N)C2CC2)s1.
What is the InChIKey of cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
The InChIKey is VZDOBCHEBIZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c1-9-2-5-11(16(17,18)19)8-12(9)13-6-7-14(21-13)15(20)10-3-4-10/h2,5-8,10,15H,3-4,20H2,1H3.
What are the key properties of cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine?
cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine has a molecular weight of 311.37 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 66475661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).