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

C13H14BrNOS — CID 54930992

IUPAC2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(OCc2ccc(Br)s2)c1
InChIInChI=1S/C13H14BrNOS/c14-13-5-4-12(17-13)9-16-11-3-1-2-10(8-11)6-7-15/h1-5,8H,6-7,9,15H2
InChIKeyBGEVAFDUIDXWMT-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.59
Rot. Bonds5

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

2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine (PubChem CID 54930992) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
PubChem CID54930992
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(OCc2ccc(Br)s2)c1
InChIInChI=1S/C13H14BrNOS/c14-13-5-4-12(17-13)9-16-11-3-1-2-10(8-11)6-7-15/h1-5,8H,6-7,9,15H2
InChIKeyBGEVAFDUIDXWMT-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromothiophen-2-yl)methoxy]aniline
CID 18072503
N-[[3-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63486876
2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320770
2-bromo-5-(naphthalen-2-yloxymethyl)thiophene
CID 63458037
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
CID 60905963
3-[3-[(4-bromophenyl)methoxy]phenyl]propan-1-amine
CID 170867815
2-[3-(thietan-3-ylmethoxy)phenyl]ethanamine
CID 84688736
4-[[3-(2-aminoethyl)phenoxy]methyl]-N,N-dimethylaniline
CID 39205636
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
2-[[3-(2-aminoethyl)phenoxy]methyl]benzonitrile
CID 54930897

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine (CID 54930992) is 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine is NCCc1cccc(OCc2ccc(Br)s2)c1.
What is the InChIKey of 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is BGEVAFDUIDXWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c14-13-5-4-12(17-13)9-16-11-3-1-2-10(8-11)6-7-15/h1-5,8H,6-7,9,15H2.
What are the key properties of 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine?
2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54930992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).