2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine

C14H13BrF3NOS — CID 63320770

IUPAC2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(Br)s2)c(C(F)(F)F)c1
InChIInChI=1S/C14H13BrF3NOS/c15-13-4-2-10(21-13)8-20-12-3-1-9(5-6-19)7-11(12)14(16,17)18/h1-4,7H,5-6,8,19H2
InChIKeySSYTUNAYXCCXDB-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine

2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63320770) has the molecular formula C14H13BrF3NOS and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID63320770
Molecular FormulaC14H13BrF3NOS
Molecular Weight380.23 g/mol
Exact Mass378.99
IUPAC Name2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(Br)s2)c(C(F)(F)F)c1
InChIInChI=1S/C14H13BrF3NOS/c15-13-4-2-10(21-13)8-20-12-3-1-9(5-6-19)7-11(12)14(16,17)18/h1-4,7H,5-6,8,19H2
InChIKeySSYTUNAYXCCXDB-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 54930992
2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 55147528
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
CID 63319479
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320243
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
CID 60905963
4-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252400

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine (CID 63320770) is 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine is NCCc1ccc(OCc2ccc(Br)s2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is SSYTUNAYXCCXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NOS/c15-13-4-2-10(21-13)8-20-12-3-1-9(5-6-19)7-11(12)14(16,17)18/h1-4,7H,5-6,8,19H2.
What are the key properties of 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine?
2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 380.23 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63320770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).