4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine

C15H16F3NOS — CID 105145864

IUPAC4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
SMILESNC(CCCc1cccs1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)20-12-5-1-4-11(10-12)14(19)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10,14H,2,6,8,19H2
InChIKeyNVWACNBGUNVVQX-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.67
Rot. Bonds6

About 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine

4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 105145864) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID105145864
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
SMILESNC(CCCc1cccs1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)20-12-5-1-4-11(10-12)14(19)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10,14H,2,6,8,19H2
InChIKeyNVWACNBGUNVVQX-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
1-(3-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105187931
3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 102927944
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine (CID 105145864) is 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine is NC(CCCc1cccs1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is NVWACNBGUNVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c16-15(17,18)20-12-5-1-4-11(10-12)14(19)8-2-6-13-7-3-9-21-13/h1,3-5,7,9-10,14H,2,6,8,19H2.
What are the key properties of 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 315.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 105145864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).