(5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine

C16H14BrNOS — CID 43464621

IUPAC(5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)s2)c2ccccc12
InChIInChI=1S/C16H14BrNOS/c1-19-13-7-6-12(10-4-2-3-5-11(10)13)16(18)14-8-9-15(17)20-14/h2-9,16H,18H2,1H3
InChIKeyWQMRATGVYPETBZ-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.72
Rot. Bonds3

About (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine

(5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine (PubChem CID 43464621) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine
PubChem CID43464621
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name(5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)s2)c2ccccc12
InChIInChI=1S/C16H14BrNOS/c1-19-13-7-6-12(10-4-2-3-5-11(10)13)16(18)14-8-9-15(17)20-14/h2-9,16H,18H2,1H3
InChIKeyWQMRATGVYPETBZ-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine (CID 43464621) is (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine is COc1ccc(C(N)c2ccc(Br)s2)c2ccccc12.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine?
The InChIKey is WQMRATGVYPETBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNOS/c1-19-13-7-6-12(10-4-2-3-5-11(10)13)16(18)14-8-9-15(17)20-14/h2-9,16H,18H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine?
(5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine has a molecular weight of 348.27 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanamine is sourced from PubChem (CID 43464621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).