4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride

C15H17BrClNOS — CID 163332514

IUPAC4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride
SMILESBrc1cc(CN2CCOCC2)c(-c2ccccc2)s1.Cl
InChIInChI=1S/C15H16BrNOS.ClH/c16-14-10-13(11-17-6-8-18-9-7-17)15(19-14)12-4-2-1-3-5-12;/h1-5,10H,6-9,11H2;1H
InChIKeyZJWZIAGMKVAVPQ-UHFFFAOYSA-N
MW374.73 g/mol
LogP4.43
Rot. Bonds3

About 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride

4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride (PubChem CID 163332514) has the molecular formula C15H17BrClNOS and a molecular weight of 374.73 g/mol. Its IUPAC name is 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride
PubChem CID163332514
Molecular FormulaC15H17BrClNOS
Molecular Weight374.73 g/mol
Exact Mass372.99
IUPAC Name4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride
SMILESBrc1cc(CN2CCOCC2)c(-c2ccccc2)s1.Cl
InChIInChI=1S/C15H16BrNOS.ClH/c16-14-10-13(11-17-6-8-18-9-7-17)15(19-14)12-4-2-1-3-5-12;/h1-5,10H,6-9,11H2;1H
InChIKeyZJWZIAGMKVAVPQ-UHFFFAOYSA-N
XLogP4.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.73
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride (CID 163332514) is 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride is Brc1cc(CN2CCOCC2)c(-c2ccccc2)s1.Cl.
What is the InChIKey of 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride?
The InChIKey is ZJWZIAGMKVAVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS.ClH/c16-14-10-13(11-17-6-8-18-9-7-17)15(19-14)12-4-2-1-3-5-12;/h1-5,10H,6-9,11H2;1H.
What are the key properties of 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride?
4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride has a molecular weight of 374.73 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 163332514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).