3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine

C16H18F3NOS — CID 175064848

IUPAC3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCC(C)C(N)C(Oc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C16H18F3NOS/c1-10(2)14(20)15(13-4-3-9-22-13)21-12-7-5-11(6-8-12)16(17,18)19/h3-10,14-15H,20H2,1-2H3
InChIKeyAMNJWLBEXPIHKP-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.87
Rot. Bonds5

About 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine

3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine (PubChem CID 175064848) has the molecular formula C16H18F3NOS and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine
PubChem CID175064848
Molecular FormulaC16H18F3NOS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCC(C)C(N)C(Oc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C16H18F3NOS/c1-10(2)14(20)15(13-4-3-9-22-13)21-12-7-5-11(6-8-12)16(17,18)19/h3-10,14-15H,20H2,1-2H3
InChIKeyAMNJWLBEXPIHKP-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine
CID 63458598
[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
(2S)-3-methyl-1,1-bis[4-(trifluoromethyl)phenyl]butane-1,2-diamine
CID 102414149
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55020853
2-propan-2-ylthiophene
CID 178128598
2,2-difluoro-1-thiophen-2-ylpropan-1-amine
CID 131209587
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 43483425
1-(2,3-difluorophenoxy)-1-thiophen-2-ylpropan-2-amine
CID 63038311
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine?
The IUPAC name of 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine (CID 175064848) is 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine.
What is the SMILES notation for 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine?
The canonical SMILES for 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine is CC(C)C(N)C(Oc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine?
The InChIKey is AMNJWLBEXPIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NOS/c1-10(2)14(20)15(13-4-3-9-22-13)21-12-7-5-11(6-8-12)16(17,18)19/h3-10,14-15H,20H2,1-2H3.
What are the key properties of 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine?
3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine has a molecular weight of 329.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenoxy]butan-2-amine is sourced from PubChem (CID 175064848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).