1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine

C17H16BrNS — CID 115354104

IUPAC1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H16BrNS/c1-19-17(11-16-3-2-8-20-16)14-5-4-13-10-15(18)7-6-12(13)9-14/h2-10,17,19H,11H2,1H3
InChIKeyPDDKNZUECTWSJC-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.17
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine

1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 115354104) has the molecular formula C17H16BrNS and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID115354104
Molecular FormulaC17H16BrNS
Molecular Weight346.29 g/mol
Exact Mass345.02
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H16BrNS/c1-19-17(11-16-3-2-8-20-16)14-5-4-13-10-15(18)7-6-12(13)9-14/h2-10,17,19H,11H2,1H3
InChIKeyPDDKNZUECTWSJC-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81472047
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793
1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115849229
[1-(6-bromonaphthalen-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308962
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine (CID 115354104) is 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is PDDKNZUECTWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNS/c1-19-17(11-16-3-2-8-20-16)14-5-4-13-10-15(18)7-6-12(13)9-14/h2-10,17,19H,11H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine?
1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 346.29 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115354104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).