1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine

C17H16BrNS — CID 102827456

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cc(Br)c(C)s1)c1cccc2ccccc12
InChIInChI=1S/C17H16BrNS/c1-11-15(18)10-16(20-11)17(19-2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10,17,19H,1-2H3
InChIKeyGXGLINIFPMKHHU-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.28
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine

1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 102827456) has the molecular formula C17H16BrNS and a molecular weight of 346.29 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
PubChem CID102827456
Molecular FormulaC17H16BrNS
Molecular Weight346.29 g/mol
Exact Mass345.02
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cc(Br)c(C)s1)c1cccc2ccccc12
InChIInChI=1S/C17H16BrNS/c1-11-15(18)10-16(20-11)17(19-2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10,17,19H,1-2H3
InChIKeyGXGLINIFPMKHHU-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
1-(4,5-dibromothiophen-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856280
N-[(4-bromo-5-methylthiophen-2-yl)-(2-bromophenyl)methyl]ethanamine
CID 102827553
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 102827434
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-bromo-2-methylphenyl)-N-methylmethanamine
CID 102828340
N-[(2-bromo-3-fluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine
CID 102827933
N-[(4-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 102827690
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine (CID 102827456) is 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine is CNC(c1cc(Br)c(C)s1)c1cccc2ccccc12.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is GXGLINIFPMKHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNS/c1-11-15(18)10-16(20-11)17(19-2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10,17,19H,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine has a molecular weight of 346.29 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 102827456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).