N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H14F3NOS — CID 60733682

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccsc1CNCCOCC(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-8-2-5-16-9(8)6-14-3-4-15-7-10(11,12)13/h2,5,14H,3-4,6-7H2,1H3
InChIKeyNWMHCHNKIJCRQY-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.73
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 60733682) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID60733682
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccsc1CNCCOCC(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-8-2-5-16-9(8)6-14-3-4-15-7-10(11,12)13/h2,5,14H,3-4,6-7H2,1H3
InChIKeyNWMHCHNKIJCRQY-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 60733682) is N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1ccsc1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is NWMHCHNKIJCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-8-2-5-16-9(8)6-14-3-4-15-7-10(11,12)13/h2,5,14H,3-4,6-7H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 253.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 60733682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).