1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine

C13H14BrNOS — CID 62911577

IUPAC1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2cccs2)c(Br)c1
InChIInChI=1S/C13H14BrNOS/c1-9(15)10-4-5-13(12(14)7-10)16-8-11-3-2-6-17-11/h2-7,9H,8,15H2,1H3
InChIKeyOXMFABXPXMEJBB-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.11
Rot. Bonds4

About 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine

1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine (PubChem CID 62911577) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
PubChem CID62911577
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2cccs2)c(Br)c1
InChIInChI=1S/C13H14BrNOS/c1-9(15)10-4-5-13(12(14)7-10)16-8-11-3-2-6-17-11/h2-7,9H,8,15H2,1H3
InChIKeyOXMFABXPXMEJBB-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 113386918
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 102948585
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine (CID 62911577) is 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine is CC(N)c1ccc(OCc2cccs2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is OXMFABXPXMEJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-9(15)10-4-5-13(12(14)7-10)16-8-11-3-2-6-17-11/h2-7,9H,8,15H2,1H3.
What are the key properties of 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 312.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 62911577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).