1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine

C17H15Br2NS — CID 115353809

IUPAC1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1C
InChIInChI=1S/C17H15Br2NS/c1-10-15(9-16(19)21-10)17(20-2)13-4-3-12-8-14(18)6-5-11(12)7-13/h3-9,17,20H,1-2H3
InChIKeyWWHVOJGOIATNFE-UHFFFAOYSA-N
MW425.19 g/mol
LogP6.04
Rot. Bonds3

About 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine

1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine (PubChem CID 115353809) has the molecular formula C17H15Br2NS and a molecular weight of 425.19 g/mol. Its IUPAC name is 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
PubChem CID115353809
Molecular FormulaC17H15Br2NS
Molecular Weight425.19 g/mol
Exact Mass422.93
IUPAC Name1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1C
InChIInChI=1S/C17H15Br2NS/c1-10-15(9-16(19)21-10)17(20-2)13-4-3-12-8-14(18)6-5-11(12)7-13/h3-9,17,20H,1-2H3
InChIKeyWWHVOJGOIATNFE-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.19
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353815
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 106851847
1-(2-bromo-4-chlorophenyl)-1-(5-bromo-2-methylthiophen-3-yl)-N-methylmethanamine
CID 114024441
1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749290
1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 107950365
1-(5-bromo-2-methylthiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81265603
1-(6-bromonaphthalen-2-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033542
[(6-bromonaphthalen-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313338
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107968253
1-(3-bromo-5-methylphenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 104851175
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine (CID 115353809) is 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine is CNC(c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1C.
What is the InChIKey of 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
The InChIKey is WWHVOJGOIATNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NS/c1-10-15(9-16(19)21-10)17(20-2)13-4-3-12-8-14(18)6-5-11(12)7-13/h3-9,17,20H,1-2H3.
What are the key properties of 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine?
1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine has a molecular weight of 425.19 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 115353809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).