(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine

C14H16BrNOS — CID 63366322

IUPAC(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1sccc1Br
InChIInChI=1S/C14H16BrNOS/c1-2-12(16)10-5-3-4-6-13(10)17-9-14-11(15)7-8-18-14/h3-8,12H,2,9,16H2,1H3/t12-/m1/s1
InChIKeyQAUXCDNCZPJVDW-GFCCVEGCSA-N
MW326.26 g/mol
LogP4.50
Rot. Bonds5

About (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine

(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine (PubChem CID 63366322) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
PubChem CID63366322
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1sccc1Br
InChIInChI=1S/C14H16BrNOS/c1-2-12(16)10-5-3-4-6-13(10)17-9-14-11(15)7-8-18-14/h3-8,12H,2,9,16H2,1H3/t12-/m1/s1
InChIKeyQAUXCDNCZPJVDW-GFCCVEGCSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 55189899
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
CID 63366655
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine (CID 63366322) is (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCc1sccc1Br.
What is the InChIKey of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is QAUXCDNCZPJVDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-2-12(16)10-5-3-4-6-13(10)17-9-14-11(15)7-8-18-14/h3-8,12H,2,9,16H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine?
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 326.26 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 63366322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).