1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine

C15H18BrNOS — CID 60887228

IUPAC1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrNOS/c1-3-14(17-2)11-4-6-12(7-5-11)18-10-13-8-9-15(16)19-13/h4-9,14,17H,3,10H2,1-2H3
InChIKeyGEIXNHATWRXNHT-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine

1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 60887228) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID60887228
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H18BrNOS/c1-3-14(17-2)11-4-6-12(7-5-11)18-10-13-8-9-15(16)19-13/h4-9,14,17H,3,10H2,1-2H3
InChIKeyGEIXNHATWRXNHT-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine (CID 60887228) is 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(OCc2ccc(Br)s2)cc1.
What is the InChIKey of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is GEIXNHATWRXNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-14(17-2)11-4-6-12(7-5-11)18-10-13-8-9-15(16)19-13/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 340.29 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 60887228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).