N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine

C11H16F3NOS — CID 82956655

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESCc1ccc(CNCCOCCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-9-2-3-10(17-9)8-15-5-7-16-6-4-11(12,13)14/h2-3,15H,4-8H2,1H3
InChIKeyYFIUGVDYXCQUHH-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.12
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine (PubChem CID 82956655) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
PubChem CID82956655
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESCc1ccc(CNCCOCCC(F)(F)F)s1
InChIInChI=1S/C11H16F3NOS/c1-9-2-3-10(17-9)8-15-5-7-16-6-4-11(12,13)14/h2-3,15H,4-8H2,1H3
InChIKeyYFIUGVDYXCQUHH-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.12
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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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine
CID 62583214
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
2-(3-methylbut-3-enoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114470947
N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 115584884
N-[(4-bromothiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82958028
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
N-[(5-methylthiophen-2-yl)methyl]-2-(2,4,6-tribromophenoxy)ethanamine
CID 63506848
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
CID 55088440
N-[(5-bromothiophen-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104561851
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
N-[(5-methylthiophen-2-yl)methyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556138
2-(4-methylsulfanylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63648590

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine (CID 82956655) is N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine is Cc1ccc(CNCCOCCC(F)(F)F)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine?
The InChIKey is YFIUGVDYXCQUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-9-2-3-10(17-9)8-15-5-7-16-6-4-11(12,13)14/h2-3,15H,4-8H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine has a molecular weight of 267.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine is sourced from PubChem (CID 82956655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).