(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine

C14H16BrNOS — CID 102947209

IUPAC(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1OCCc1cccs1
InChIInChI=1S/C14H16BrNOS/c1-10(16)13-5-4-11(15)9-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-10H,6-7,16H2,1H3/t10-/m0/s1
InChIKeyMWIUVBBILKNEGN-JTQLQIEISA-N
MW326.26 g/mol
LogP4.15
Rot. Bonds5

About (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine

(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine (PubChem CID 102947209) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
PubChem CID102947209
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(Br)cc1OCCc1cccs1
InChIInChI=1S/C14H16BrNOS/c1-10(16)13-5-4-11(15)9-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-10H,6-7,16H2,1H3/t10-/m0/s1
InChIKeyMWIUVBBILKNEGN-JTQLQIEISA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]thiophene
CID 113302910
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282
(1R)-1-[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63370121
(1S)-1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 102947124
1-[4-bromo-2-(3-phenylpropoxy)phenyl]ethanamine
CID 82975806
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine (CID 102947209) is (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(Br)cc1OCCc1cccs1.
What is the InChIKey of (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
The InChIKey is MWIUVBBILKNEGN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(16)13-5-4-11(15)9-14(13)17-7-6-12-3-2-8-18-12/h2-5,8-10H,6-7,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine?
(1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 102947209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).