1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine

C17H16BrNOS — CID 43480848

IUPAC1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)s1)c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H16BrNOS/c1-19-17(15-9-10-16(18)21-15)13-7-8-14(20-2)12-6-4-3-5-11(12)13/h3-10,17,19H,1-2H3
InChIKeyWESUGNLVEAGPHX-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.98
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine

1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine (PubChem CID 43480848) has the molecular formula C17H16BrNOS and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine
PubChem CID43480848
Molecular FormulaC17H16BrNOS
Molecular Weight362.29 g/mol
Exact Mass361.01
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)s1)c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H16BrNOS/c1-19-17(15-9-10-16(18)21-15)13-7-8-14(20-2)12-6-4-3-5-11(12)13/h3-10,17,19H,1-2H3
InChIKeyWESUGNLVEAGPHX-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine (CID 43480848) is 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine is CNC(c1ccc(Br)s1)c1ccc(OC)c2ccccc12.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine?
The InChIKey is WESUGNLVEAGPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNOS/c1-19-17(15-9-10-16(18)21-15)13-7-8-14(20-2)12-6-4-3-5-11(12)13/h3-10,17,19H,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine?
1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine has a molecular weight of 362.29 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(4-methoxynaphthalen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 43480848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).