(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine

C15H18BrNOS — CID 78937365

IUPAC(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc(Br)cc2[C@H](C)N)s1
InChIInChI=1S/C15H18BrNOS/c1-3-12-5-6-13(19-12)9-18-15-7-4-11(16)8-14(15)10(2)17/h4-8,10H,3,9,17H2,1-2H3/t10-/m0/s1
InChIKeyWRYYVNOZRHGIDM-JTQLQIEISA-N
MW340.29 g/mol
LogP4.67
Rot. Bonds5

About (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine

(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine (PubChem CID 78937365) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
PubChem CID78937365
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc(Br)cc2[C@H](C)N)s1
InChIInChI=1S/C15H18BrNOS/c1-3-12-5-6-13(19-12)9-18-15-7-4-11(16)8-14(15)10(2)17/h4-8,10H,3,9,17H2,1-2H3/t10-/m0/s1
InChIKeyWRYYVNOZRHGIDM-JTQLQIEISA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]benzenecarbothioamide
CID 83145832
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
CID 65322330
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine (CID 78937365) is (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine is CCc1ccc(COc2ccc(Br)cc2[C@H](C)N)s1.
What is the InChIKey of (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is WRYYVNOZRHGIDM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-12-5-6-13(19-12)9-18-15-7-4-11(16)8-14(15)10(2)17/h4-8,10H,3,9,17H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78937365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).